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/vl30-30mer-a9969229/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-30mer-a9969229/inputs/seq.fa: 1
curr_seq: _CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/vl30-30mer-a9969229/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-30mer-a9969229/inputs/seq.fa: 1
curr_seq: _CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/vl30-30mer-a9969229/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-30mer-a9969229/inputs/seq.fa: 1
curr_seq: _CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/vl30-30mer-a9969229/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-30mer-a9969229/inputs/seq.fa: 1
curr_seq: _CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/vl30-30mer-a9969229/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-30mer-a9969229/inputs/seq.fa: 1
curr_seq: _CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/vl30-30mer-a9969229/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-30mer-a9969229/inputs/seq.fa: 1
curr_seq: _CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/vl30-30mer-a9969229/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-30mer-a9969229/inputs/seq.fa: 1
curr_seq: _CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/vl30-30mer-a9969229/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-30mer-a9969229/inputs/seq.fa: 1
curr_seq: _CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/vl30-30mer-a9969229/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-30mer-a9969229/inputs/seq.fa: 1
curr_seq: _CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/vl30-30mer-a9969229/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-30mer-a9969229/inputs/seq.fa: 1
curr_seq: _CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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: -111.477966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.477966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.477966 (E_RNA)
where:
Base-Base interactions energy: -0.064
where: short stacking energy: -0.064
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -111.477966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.477966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.477966 (E_RNA)
where:
Base-Base interactions energy: -0.064
where: short stacking energy: -0.064
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -111.477966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.477966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.477966 (E_RNA)
where:
Base-Base interactions energy: -0.064
where: short stacking energy: -0.064
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -111.477966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.477966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.477966 (E_RNA)
where:
Base-Base interactions energy: -0.064
where: short stacking energy: -0.064
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -111.477966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.477966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.477966 (E_RNA)
where:
Base-Base interactions energy: -0.064
where: short stacking energy: -0.064
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -111.477966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.477966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.477966 (E_RNA)
where:
Base-Base interactions energy: -0.064
where: short stacking energy: -0.064
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -111.477966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.477966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.477966 (E_RNA)
where:
Base-Base interactions energy: -0.064
where: short stacking energy: -0.064
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -111.477966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.477966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.477966 (E_RNA)
where:
Base-Base interactions energy: -0.064
where: short stacking energy: -0.064
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -111.477966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.477966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.477966 (E_RNA)
where:
Base-Base interactions energy: -0.064
where: short stacking energy: -0.064
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -111.477966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.477966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.477966 (E_RNA)
where:
Base-Base interactions energy: -0.064
where: short stacking energy: -0.064
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -173.445848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.445848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.445848 (E_RNA)
where:
Base-Base interactions energy: -71.474
where: short stacking energy: -71.474
Base-Backbone interact. energy: -0.049
local terms energy: -101.922065
where:
bonds (distance) C4'-P energy: -24.230
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -154.448052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.448052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.448052 (E_RNA)
where:
Base-Base interactions energy: -64.382
where: short stacking energy: -64.382
Base-Backbone interact. energy: -0.181
local terms energy: -89.884760
where:
bonds (distance) C4'-P energy: -22.300
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -13.363
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -161.409674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.409674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.409674 (E_RNA)
where:
Base-Base interactions energy: -61.792
where: short stacking energy: -60.065
Base-Backbone interact. energy: -0.010
local terms energy: -99.607807
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -22.338
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -150.158995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.158995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.158995 (E_RNA)
where:
Base-Base interactions energy: -59.799
where: short stacking energy: -59.799
Base-Backbone interact. energy: -0.137
local terms energy: -90.222905
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -17.832
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -136.824990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.824990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.824990 (E_RNA)
where:
Base-Base interactions energy: -57.115
where: short stacking energy: -57.315
Base-Backbone interact. energy: -0.021
local terms energy: -79.688231
where:
bonds (distance) C4'-P energy: -21.422
bonds (distance) P-C4' energy: -19.955
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -122.723439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.723439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.723439 (E_RNA)
where:
Base-Base interactions energy: -54.584
where: short stacking energy: -43.729
Base-Backbone interact. energy: -0.386
local terms energy: -67.753083
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -19.615
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -127.056616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.056616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.056616 (E_RNA)
where:
Base-Base interactions energy: -43.329
where: short stacking energy: -42.586
Base-Backbone interact. energy: -0.120
local terms energy: -83.607877
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -11.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -133.758065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.758065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.758065 (E_RNA)
where:
Base-Base interactions energy: -65.018
where: short stacking energy: -41.700
Base-Backbone interact. energy: -0.138
local terms energy: -68.602765
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -110.863762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.863762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.863762 (E_RNA)
where:
Base-Base interactions energy: -0.064
where: short stacking energy: -0.064
Base-Backbone interact. energy: -0.000
local terms energy: -110.799586
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -110.863762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.863762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.863762 (E_RNA)
where:
Base-Base interactions energy: -0.064
where: short stacking energy: -0.064
Base-Backbone interact. energy: -0.000
local terms energy: -110.799586
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -189.589469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.589469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.589469 (E_RNA)
where:
Base-Base interactions energy: -87.918
where: short stacking energy: -87.918
Base-Backbone interact. energy: -0.006
local terms energy: -101.664952
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -22.457
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -185.222197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.222197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.222197 (E_RNA)
where:
Base-Base interactions energy: -84.332
where: short stacking energy: -73.848
Base-Backbone interact. energy: -0.085
local terms energy: -100.804702
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -25.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -147.772233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.772233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.772233 (E_RNA)
where:
Base-Base interactions energy: -62.970
where: short stacking energy: -62.889
Base-Backbone interact. energy: -0.156
local terms energy: -84.646761
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -146.336524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.336524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.336524 (E_RNA)
where:
Base-Base interactions energy: -64.512
where: short stacking energy: -46.759
Base-Backbone interact. energy: -0.351
local terms energy: -81.473318
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -135.771218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.771218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.771218 (E_RNA)
where:
Base-Base interactions energy: -52.943
where: short stacking energy: -52.943
Base-Backbone interact. energy: -0.286
local terms energy: -82.542777
where:
bonds (distance) C4'-P energy: -22.654
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -11.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -132.569154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.569154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.569154 (E_RNA)
where:
Base-Base interactions energy: -47.574
where: short stacking energy: -47.574
Base-Backbone interact. energy: 1.187
local terms energy: -86.182162
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -124.754279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.754279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.754279 (E_RNA)
where:
Base-Base interactions energy: -50.544
where: short stacking energy: -50.250
Base-Backbone interact. energy: -0.122
local terms energy: -74.087819
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -128.424778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.424778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.424778 (E_RNA)
where:
Base-Base interactions energy: -57.093
where: short stacking energy: -39.738
Base-Backbone interact. energy: -0.494
local terms energy: -70.838158
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -12.056
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: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -108.290966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.290966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.290966 (E_RNA)
where:
Base-Base interactions energy: -44.621
where: short stacking energy: -21.831
Base-Backbone interact. energy: -0.294
local terms energy: -63.375837
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -91.357263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.357263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.357263 (E_RNA)
where:
Base-Base interactions energy: -29.795
where: short stacking energy: -26.697
Base-Backbone interact. energy: 2.169
local terms energy: -63.731241
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -192.568178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.568178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.568178 (E_RNA)
where:
Base-Base interactions energy: -89.133
where: short stacking energy: -76.228
Base-Backbone interact. energy: -0.002
local terms energy: -103.433536
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -24.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -180.554674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.554674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.554674 (E_RNA)
where:
Base-Base interactions energy: -87.324
where: short stacking energy: -83.467
Base-Backbone interact. energy: -0.017
local terms energy: -93.213241
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -158.866002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.866002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.866002 (E_RNA)
where:
Base-Base interactions energy: -61.789
where: short stacking energy: -61.789
Base-Backbone interact. energy: -0.194
local terms energy: -96.883084
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -12.524
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: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -152.648939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.648939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.648939 (E_RNA)
where:
Base-Base interactions energy: -64.820
where: short stacking energy: -64.820
Base-Backbone interact. energy: -0.125
local terms energy: -87.703746
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -12.023
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: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -138.826119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.826119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.826119 (E_RNA)
where:
Base-Base interactions energy: -60.844
where: short stacking energy: -51.263
Base-Backbone interact. energy: -0.153
local terms energy: -77.828867
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -136.993519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.993519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.993519 (E_RNA)
where:
Base-Base interactions energy: -55.502
where: short stacking energy: -55.502
Base-Backbone interact. energy: -0.010
local terms energy: -81.481184
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -12.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -130.277544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.277544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.277544 (E_RNA)
where:
Base-Base interactions energy: -53.938
where: short stacking energy: -51.229
Base-Backbone interact. energy: -0.271
local terms energy: -76.068146
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -108.096397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.096397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.096397 (E_RNA)
where:
Base-Base interactions energy: -36.838
where: short stacking energy: -34.295
Base-Backbone interact. energy: -0.320
local terms energy: -70.938032
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -0.201
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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -106.161200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.161200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.161200 (E_RNA)
where:
Base-Base interactions energy: -47.952
where: short stacking energy: -34.145
Base-Backbone interact. energy: 1.843
local terms energy: -60.052008
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -3.910
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: 0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -94.270639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.270639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.270639 (E_RNA)
where:
Base-Base interactions energy: -27.631
where: short stacking energy: -28.031
Base-Backbone interact. energy: 0.119
local terms energy: -66.758185
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: 3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -182.635314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.635314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.635314 (E_RNA)
where:
Base-Base interactions energy: -85.352
where: short stacking energy: -73.848
Base-Backbone interact. energy: -0.165
local terms energy: -97.118548
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -190.080394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.080394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.080394 (E_RNA)
where:
Base-Base interactions energy: -93.295
where: short stacking energy: -63.601
Base-Backbone interact. energy: 0.912
local terms energy: -97.697777
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -24.146
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -14.487
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: 5
Temperature: 1.000000
Total energy: -177.292597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.292597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.292597 (E_RNA)
where:
Base-Base interactions energy: -85.146
where: short stacking energy: -84.183
Base-Backbone interact. energy: -0.066
local terms energy: -92.080121
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -148.461886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.461886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.461886 (E_RNA)
where:
Base-Base interactions energy: -62.350
where: short stacking energy: -58.056
Base-Backbone interact. energy: -0.112
local terms energy: -85.999759
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -152.465761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.465761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.465761 (E_RNA)
where:
Base-Base interactions energy: -69.383
where: short stacking energy: -56.543
Base-Backbone interact. energy: -0.111
local terms energy: -82.971611
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: -10.703
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: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -112.651777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.651777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.651777 (E_RNA)
where:
Base-Base interactions energy: -36.675
where: short stacking energy: -32.154
Base-Backbone interact. energy: -0.406
local terms energy: -75.569965
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -23.833
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -0.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -116.524248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.524248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.524248 (E_RNA)
where:
Base-Base interactions energy: -50.345
where: short stacking energy: -43.758
Base-Backbone interact. energy: -0.083
local terms energy: -66.096247
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -110.585110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.585110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.585110 (E_RNA)
where:
Base-Base interactions energy: -33.877
where: short stacking energy: -33.877
Base-Backbone interact. energy: 1.158
local terms energy: -77.865745
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -6.249
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: 5
Temperature: 1.300000
Total energy: -99.542344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.542344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.542344 (E_RNA)
where:
Base-Base interactions energy: -32.249
where: short stacking energy: -30.699
Base-Backbone interact. energy: -0.195
local terms energy: -67.099165
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -96.852041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.852041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.852041 (E_RNA)
where:
Base-Base interactions energy: -39.359
where: short stacking energy: -28.146
Base-Backbone interact. energy: 0.856
local terms energy: -58.348935
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: 0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -199.101879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.101879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.101879 (E_RNA)
where:
Base-Base interactions energy: -103.504
where: short stacking energy: -70.320
Base-Backbone interact. energy: -0.015
local terms energy: -95.582126
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -15.113
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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -172.755369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.755369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.755369 (E_RNA)
where:
Base-Base interactions energy: -77.871
where: short stacking energy: -52.007
Base-Backbone interact. energy: -0.069
local terms energy: -94.815301
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -25.390
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -156.782569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.782569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.782569 (E_RNA)
where:
Base-Base interactions energy: -66.604
where: short stacking energy: -62.350
Base-Backbone interact. energy: -0.182
local terms energy: -89.996159
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -24.878
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -150.238575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.238575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.238575 (E_RNA)
where:
Base-Base interactions energy: -66.649
where: short stacking energy: -66.649
Base-Backbone interact. energy: -0.797
local terms energy: -82.792691
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -13.566
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: 5, replica: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -154.826056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.826056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.826056 (E_RNA)
where:
Base-Base interactions energy: -75.588
where: short stacking energy: -51.741
Base-Backbone interact. energy: -0.184
local terms energy: -79.053752
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -118.608996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.608996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.608996 (E_RNA)
where:
Base-Base interactions energy: -51.784
where: short stacking energy: -48.825
Base-Backbone interact. energy: -0.393
local terms energy: -66.431472
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -4.297
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: 6
Temperature: 1.200000
Total energy: -124.321134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.321134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.321134 (E_RNA)
where:
Base-Base interactions energy: -49.316
where: short stacking energy: -49.316
Base-Backbone interact. energy: -0.199
local terms energy: -74.805926
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -130.761564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.761564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.761564 (E_RNA)
where:
Base-Base interactions energy: -60.213
where: short stacking energy: -41.832
Base-Backbone interact. energy: -0.488
local terms energy: -70.060454
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -13.955
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: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -103.138162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.138162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.138162 (E_RNA)
where:
Base-Base interactions energy: -29.407
where: short stacking energy: -29.407
Base-Backbone interact. energy: -0.173
local terms energy: -73.558605
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -97.952463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.952463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.952463 (E_RNA)
where:
Base-Base interactions energy: -38.594
where: short stacking energy: -26.910
Base-Backbone interact. energy: -0.216
local terms energy: -59.142962
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: 1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -216.289921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.289921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.289921 (E_RNA)
where:
Base-Base interactions energy: -118.294
where: short stacking energy: -75.832
Base-Backbone interact. energy: -0.085
local terms energy: -97.910393
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -21.512
flat angles C4'-P-C4' energy: -22.331
flat angles P-C4'-P energy: -11.102
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: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -171.619585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.619585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.619585 (E_RNA)
where:
Base-Base interactions energy: -71.731
where: short stacking energy: -71.731
Base-Backbone interact. energy: -0.210
local terms energy: -99.678487
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -182.952231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.952231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.952231 (E_RNA)
where:
Base-Base interactions energy: -90.781
where: short stacking energy: -74.888
Base-Backbone interact. energy: -0.085
local terms energy: -92.086282
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -167.319806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.319806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.319806 (E_RNA)
where:
Base-Base interactions energy: -83.316
where: short stacking energy: -58.442
Base-Backbone interact. energy: 0.453
local terms energy: -84.456763
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -173.605678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.605678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.605678 (E_RNA)
where:
Base-Base interactions energy: -86.736
where: short stacking energy: -59.939
Base-Backbone interact. energy: 0.166
local terms energy: -87.034784
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -24.908
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -9.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -127.775430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.775430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.775430 (E_RNA)
where:
Base-Base interactions energy: -46.393
where: short stacking energy: -46.393
Base-Backbone interact. energy: -0.227
local terms energy: -81.156119
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -11.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -132.724537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.724537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.724537 (E_RNA)
where:
Base-Base interactions energy: -52.596
where: short stacking energy: -41.247
Base-Backbone interact. energy: -0.070
local terms energy: -80.058321
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -113.393359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.393359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.393359 (E_RNA)
where:
Base-Base interactions energy: -40.859
where: short stacking energy: -40.859
Base-Backbone interact. energy: 1.021
local terms energy: -73.554773
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -14.834
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: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -100.441344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.441344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.441344 (E_RNA)
where:
Base-Base interactions energy: -31.240
where: short stacking energy: -21.518
Base-Backbone interact. energy: -0.332
local terms energy: -68.869348
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -10.150
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: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -99.215980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.215980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.215980 (E_RNA)
where:
Base-Base interactions energy: -32.975
where: short stacking energy: -29.703
Base-Backbone interact. energy: -0.200
local terms energy: -66.040488
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -230.097455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.097455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.097455 (E_RNA)
where:
Base-Base interactions energy: -130.364
where: short stacking energy: -89.802
Base-Backbone interact. energy: -0.017
local terms energy: -99.716997
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -20.950
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: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -174.784650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.784650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.784650 (E_RNA)
where:
Base-Base interactions energy: -74.263
where: short stacking energy: -74.263
Base-Backbone interact. energy: -0.092
local terms energy: -100.429960
where:
bonds (distance) C4'-P energy: -23.353
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -22.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -187.919271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.919271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.919271 (E_RNA)
where:
Base-Base interactions energy: -92.254
where: short stacking energy: -71.079
Base-Backbone interact. energy: 0.110
local terms energy: -95.775921
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -14.656
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: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -172.922474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.922474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.922474 (E_RNA)
where:
Base-Base interactions energy: -101.483
where: short stacking energy: -58.739
Base-Backbone interact. energy: -0.278
local terms energy: -71.162006
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -13.709
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: 8
Temperature: 1.100000
Total energy: -133.269556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.269556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.269556 (E_RNA)
where:
Base-Base interactions energy: -53.661
where: short stacking energy: -53.661
Base-Backbone interact. energy: -0.056
local terms energy: -79.552312
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -135.886026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.886026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.886026 (E_RNA)
where:
Base-Base interactions energy: -56.755
where: short stacking energy: -58.294
Base-Backbone interact. energy: -0.259
local terms energy: -78.872359
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -21.953
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -12.934
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: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -113.566942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.566942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.566942 (E_RNA)
where:
Base-Base interactions energy: -40.611
where: short stacking energy: -39.896
Base-Backbone interact. energy: -0.124
local terms energy: -72.832540
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -10.889
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: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -105.273527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.273527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.273527 (E_RNA)
where:
Base-Base interactions energy: -40.548
where: short stacking energy: -30.650
Base-Backbone interact. energy: 1.123
local terms energy: -65.848810
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -102.523047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.523047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.523047 (E_RNA)
where:
Base-Base interactions energy: -30.921
where: short stacking energy: -30.921
Base-Backbone interact. energy: -0.274
local terms energy: -71.327886
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: 0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -98.182242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.182242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.182242 (E_RNA)
where:
Base-Base interactions energy: -31.729
where: short stacking energy: -30.555
Base-Backbone interact. energy: -0.216
local terms energy: -66.237661
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: 1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -241.913877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.913877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.913877 (E_RNA)
where:
Base-Base interactions energy: -138.470
where: short stacking energy: -89.149
Base-Backbone interact. energy: 0.914
local terms energy: -104.357286
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -23.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -212.546296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.546296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.546296 (E_RNA)
where:
Base-Base interactions energy: -109.941
where: short stacking energy: -81.551
Base-Backbone interact. energy: -0.019
local terms energy: -102.585568
where:
bonds (distance) C4'-P energy: -24.181
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -22.901
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -156.679930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.679930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.679930 (E_RNA)
where:
Base-Base interactions energy: -70.742
where: short stacking energy: -70.658
Base-Backbone interact. energy: -0.021
local terms energy: -85.916762
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -14.631
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: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -175.738668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.738668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.738668 (E_RNA)
where:
Base-Base interactions energy: -89.237
where: short stacking energy: -48.019
Base-Backbone interact. energy: -0.371
local terms energy: -86.131207
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -21.967
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -9.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -132.892315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.892315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.892315 (E_RNA)
where:
Base-Base interactions energy: -58.610
where: short stacking energy: -58.516
Base-Backbone interact. energy: -0.376
local terms energy: -73.906170
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -22.910
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -9.912
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: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -128.390569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.390569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.390569 (E_RNA)
where:
Base-Base interactions energy: -60.242
where: short stacking energy: -39.577
Base-Backbone interact. energy: 0.201
local terms energy: -68.349674
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -137.091420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.091420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.091420 (E_RNA)
where:
Base-Base interactions energy: -56.647
where: short stacking energy: -56.647
Base-Backbone interact. energy: -0.111
local terms energy: -80.333048
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -12.754
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: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -126.196087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.196087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.196087 (E_RNA)
where:
Base-Base interactions energy: -42.631
where: short stacking energy: -37.956
Base-Backbone interact. energy: -1.343
local terms energy: -82.222136
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -22.072
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -10.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -98.820552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.820552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.820552 (E_RNA)
where:
Base-Base interactions energy: -30.049
where: short stacking energy: -30.049
Base-Backbone interact. energy: -0.244
local terms energy: -68.527280
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -99.661935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.661935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.661935 (E_RNA)
where:
Base-Base interactions energy: -23.637
where: short stacking energy: -23.637
Base-Backbone interact. energy: 1.386
local terms energy: -77.410174
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -252.530796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.530796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.530796 (E_RNA)
where:
Base-Base interactions energy: -143.203
where: short stacking energy: -96.949
Base-Backbone interact. energy: -0.027
local terms energy: -109.300500
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -29.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -209.446106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.446106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.446106 (E_RNA)
where:
Base-Base interactions energy: -107.778
where: short stacking energy: -80.632
Base-Backbone interact. energy: -0.098
local terms energy: -101.570131
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -24.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -218.629778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.629778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.629778 (E_RNA)
where:
Base-Base interactions energy: -124.605
where: short stacking energy: -72.176
Base-Backbone interact. energy: -0.283
local terms energy: -93.741550
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -21.794
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: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -148.428186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.428186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.428186 (E_RNA)
where:
Base-Base interactions energy: -70.033
where: short stacking energy: -60.102
Base-Backbone interact. energy: -0.176
local terms energy: -78.218957
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -15.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -131.836359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.836359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.836359 (E_RNA)
where:
Base-Base interactions energy: -58.008
where: short stacking energy: -38.638
Base-Backbone interact. energy: -0.212
local terms energy: -73.615878
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -15.158
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: 6, replica: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -146.089943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.089943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.089943 (E_RNA)
where:
Base-Base interactions energy: -64.883
where: short stacking energy: -64.883
Base-Backbone interact. energy: -0.364
local terms energy: -80.843053
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -15.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -111.181317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.181317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.181317 (E_RNA)
where:
Base-Base interactions energy: -37.094
where: short stacking energy: -35.349
Base-Backbone interact. energy: -1.082
local terms energy: -73.004872
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -120.008057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.008057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.008057 (E_RNA)
where:
Base-Base interactions energy: -40.959
where: short stacking energy: -39.825
Base-Backbone interact. energy: -0.209
local terms energy: -78.840216
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -11.983
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: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -103.953528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.953528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.953528 (E_RNA)
where:
Base-Base interactions energy: -25.704
where: short stacking energy: -25.704
Base-Backbone interact. energy: 0.175
local terms energy: -78.424239
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -100.501784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.501784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.501784 (E_RNA)
where:
Base-Base interactions energy: -36.701
where: short stacking energy: -36.701
Base-Backbone interact. energy: -0.234
local terms energy: -63.566552
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -9.212
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: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -233.576855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.576855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.576855 (E_RNA)
where:
Base-Base interactions energy: -126.762
where: short stacking energy: -84.765
Base-Backbone interact. energy: -0.154
local terms energy: -106.660554
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -24.836
flat angles P-C4'-P energy: -15.820
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: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -244.888259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.888259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.888259 (E_RNA)
where:
Base-Base interactions energy: -138.230
where: short stacking energy: -73.901
Base-Backbone interact. energy: -0.079
local terms energy: -106.579198
where:
bonds (distance) C4'-P energy: -23.803
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -26.071
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -26.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -213.242358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.242358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.242358 (E_RNA)
where:
Base-Base interactions energy: -105.350
where: short stacking energy: -81.244
Base-Backbone interact. energy: -0.127
local terms energy: -107.765440
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -25.365
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -23.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -158.044918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.044918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.044918 (E_RNA)
where:
Base-Base interactions energy: -65.589
where: short stacking energy: -57.192
Base-Backbone interact. energy: -0.001
local terms energy: -92.454284
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -19.967
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -146.645994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.645994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.645994 (E_RNA)
where:
Base-Base interactions energy: -66.450
where: short stacking energy: -47.174
Base-Backbone interact. energy: -0.043
local terms energy: -80.152786
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -13.434
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: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -120.435994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.435994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.435994 (E_RNA)
where:
Base-Base interactions energy: -45.407
where: short stacking energy: -45.407
Base-Backbone interact. energy: -0.198
local terms energy: -74.830578
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -11.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -115.392722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.392722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.392722 (E_RNA)
where:
Base-Base interactions energy: -49.195
where: short stacking energy: -40.129
Base-Backbone interact. energy: -0.207
local terms energy: -65.990928
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -132.753870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.753870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.753870 (E_RNA)
where:
Base-Base interactions energy: -60.282
where: short stacking energy: -42.227
Base-Backbone interact. energy: -0.576
local terms energy: -71.896047
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -106.946144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.946144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.946144 (E_RNA)
where:
Base-Base interactions energy: -40.228
where: short stacking energy: -32.538
Base-Backbone interact. energy: -0.215
local terms energy: -66.503260
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -95.381819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.381819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.381819 (E_RNA)
where:
Base-Base interactions energy: -31.637
where: short stacking energy: -31.637
Base-Backbone interact. energy: -0.039
local terms energy: -63.705423
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -5.924
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -244.519378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.519378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.519378 (E_RNA)
where:
Base-Base interactions energy: -144.521
where: short stacking energy: -85.692
Base-Backbone interact. energy: -0.043
local terms energy: -99.955599
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -24.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -242.341237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.341237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.341237 (E_RNA)
where:
Base-Base interactions energy: -133.792
where: short stacking energy: -93.874
Base-Backbone interact. energy: -0.195
local terms energy: -108.353928
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -27.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -158.303889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.303889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.303889 (E_RNA)
where:
Base-Base interactions energy: -67.415
where: short stacking energy: -67.415
Base-Backbone interact. energy: -0.028
local terms energy: -90.861183
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -23.894
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -142.020525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.020525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.020525 (E_RNA)
where:
Base-Base interactions energy: -66.006
where: short stacking energy: -46.592
Base-Backbone interact. energy: -1.022
local terms energy: -74.992576
where:
bonds (distance) C4'-P energy: -23.091
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -130.148863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.148863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.148863 (E_RNA)
where:
Base-Base interactions energy: -51.266
where: short stacking energy: -50.517
Base-Backbone interact. energy: 0.159
local terms energy: -79.041924
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -10.842
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: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -133.278446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.278446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.278446 (E_RNA)
where:
Base-Base interactions energy: -56.453
where: short stacking energy: -56.453
Base-Backbone interact. energy: -0.302
local terms energy: -76.523152
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -12.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -120.871455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.871455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.871455 (E_RNA)
where:
Base-Base interactions energy: -47.098
where: short stacking energy: -48.098
Base-Backbone interact. energy: -0.151
local terms energy: -73.622259
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -12.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -117.618082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.618082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.618082 (E_RNA)
where:
Base-Base interactions energy: -47.760
where: short stacking energy: -40.046
Base-Backbone interact. energy: 0.959
local terms energy: -70.817386
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -109.907107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.907107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.907107 (E_RNA)
where:
Base-Base interactions energy: -49.033
where: short stacking energy: -33.812
Base-Backbone interact. energy: 0.253
local terms energy: -61.127931
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -101.680884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.680884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.680884 (E_RNA)
where:
Base-Base interactions energy: -39.570
where: short stacking energy: -16.925
Base-Backbone interact. energy: -0.373
local terms energy: -61.737353
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -7.727
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -247.934505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.934505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.934505 (E_RNA)
where:
Base-Base interactions energy: -136.765
where: short stacking energy: -81.467
Base-Backbone interact. energy: -0.136
local terms energy: -111.033808
where:
bonds (distance) C4'-P energy: -24.262
bonds (distance) P-C4' energy: -22.499
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: -24.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -236.107946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.107946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.107946 (E_RNA)
where:
Base-Base interactions energy: -129.779
where: short stacking energy: -87.574
Base-Backbone interact. energy: -0.109
local terms energy: -106.220403
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -27.493
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: 13
Temperature: 1.000000
Total energy: -159.904262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.904262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.904262 (E_RNA)
where:
Base-Base interactions energy: -67.115
where: short stacking energy: -63.297
Base-Backbone interact. energy: -1.751
local terms energy: -91.037375
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -13.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -169.406983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.406983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.406983 (E_RNA)
where:
Base-Base interactions energy: -76.740
where: short stacking energy: -59.836
Base-Backbone interact. energy: -0.014
local terms energy: -92.652442
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -14.218
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: 13
Temperature: 1.100000
Total energy: -134.941060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.941060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.941060 (E_RNA)
where:
Base-Base interactions energy: -50.579
where: short stacking energy: -50.579
Base-Backbone interact. energy: -0.092
local terms energy: -84.269285
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -12.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -118.001831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.001831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.001831 (E_RNA)
where:
Base-Base interactions energy: -36.347
where: short stacking energy: -32.984
Base-Backbone interact. energy: -0.286
local terms energy: -81.368510
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -26.511
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -132.808226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.808226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.808226 (E_RNA)
where:
Base-Base interactions energy: -45.852
where: short stacking energy: -45.852
Base-Backbone interact. energy: 0.552
local terms energy: -87.508875
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -111.372344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.372344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.372344 (E_RNA)
where:
Base-Base interactions energy: -34.126
where: short stacking energy: -31.577
Base-Backbone interact. energy: -0.254
local terms energy: -76.992671
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -14.546
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: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -98.871342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.871342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.871342 (E_RNA)
where:
Base-Base interactions energy: -28.663
where: short stacking energy: -27.324
Base-Backbone interact. energy: -0.785
local terms energy: -69.424055
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -6.050
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: 10, replica: 3
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -111.236786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.236786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.236786 (E_RNA)
where:
Base-Base interactions energy: -39.363
where: short stacking energy: -37.493
Base-Backbone interact. energy: -0.240
local terms energy: -71.634085
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -7.387
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: 14
Temperature: 0.900000
Total energy: -239.005694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.005694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.005694 (E_RNA)
where:
Base-Base interactions energy: -137.825
where: short stacking energy: -80.290
Base-Backbone interact. energy: -0.325
local terms energy: -100.855575
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -15.956
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: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -251.064603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.064603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.064603 (E_RNA)
where:
Base-Base interactions energy: -137.796
where: short stacking energy: -94.808
Base-Backbone interact. energy: -0.061
local terms energy: -113.207909
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -17.838
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: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -194.108460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.108460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.108460 (E_RNA)
where:
Base-Base interactions energy: -98.972
where: short stacking energy: -69.102
Base-Backbone interact. energy: -0.040
local terms energy: -95.095610
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -22.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -162.628460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.628460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.628460 (E_RNA)
where:
Base-Base interactions energy: -72.642
where: short stacking energy: -72.642
Base-Backbone interact. energy: 1.584
local terms energy: -91.570493
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -21.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -126.476736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.476736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.476736 (E_RNA)
where:
Base-Base interactions energy: -49.069
where: short stacking energy: -49.369
Base-Backbone interact. energy: -0.237
local terms energy: -77.170569
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -21.125
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -10.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -137.901220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.901220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.901220 (E_RNA)
where:
Base-Base interactions energy: -60.747
where: short stacking energy: -60.847
Base-Backbone interact. energy: -0.037
local terms energy: -77.117085
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -11.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -116.971185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.971185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.971185 (E_RNA)
where:
Base-Base interactions energy: -53.069
where: short stacking energy: -51.007
Base-Backbone interact. energy: 0.410
local terms energy: -64.311948
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -5.041
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: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -122.927582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.927582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.927582 (E_RNA)
where:
Base-Base interactions energy: -42.092
where: short stacking energy: -41.044
Base-Backbone interact. energy: -0.131
local terms energy: -80.704026
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -11.767
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: 9, replica: 3
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -104.220649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.220649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.220649 (E_RNA)
where:
Base-Base interactions energy: -46.127
where: short stacking energy: -36.342
Base-Backbone interact. energy: 0.849
local terms energy: -58.941897
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -3.216
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: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -100.305218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.305218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.305218 (E_RNA)
where:
Base-Base interactions energy: -40.231
where: short stacking energy: -40.504
Base-Backbone interact. energy: 1.559
local terms energy: -61.632603
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -2.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -244.604999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.604999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.604999 (E_RNA)
where:
Base-Base interactions energy: -143.660
where: short stacking energy: -84.045
Base-Backbone interact. energy: 0.589
local terms energy: -101.533661
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -25.365
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -22.016
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: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -231.412457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.412457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.412457 (E_RNA)
where:
Base-Base interactions energy: -123.957
where: short stacking energy: -89.856
Base-Backbone interact. energy: 0.513
local terms energy: -107.968042
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -23.132
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -27.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -243.360520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.360520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.360520 (E_RNA)
where:
Base-Base interactions energy: -127.387
where: short stacking energy: -90.710
Base-Backbone interact. energy: -2.010
local terms energy: -113.964143
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -22.146
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: -29.192
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: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -141.677472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.677472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.677472 (E_RNA)
where:
Base-Base interactions energy: -55.677
where: short stacking energy: -49.249
Base-Backbone interact. energy: -0.142
local terms energy: -85.858787
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -24.635
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -154.907417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.907417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.907417 (E_RNA)
where:
Base-Base interactions energy: -77.057
where: short stacking energy: -52.009
Base-Backbone interact. energy: 0.165
local terms energy: -78.015786
where:
bonds (distance) C4'-P energy: -22.039
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -130.934086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.934086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.934086 (E_RNA)
where:
Base-Base interactions energy: -48.939
where: short stacking energy: -48.939
Base-Backbone interact. energy: -0.064
local terms energy: -81.930603
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -12.164
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: 15
Temperature: 1.200000
Total energy: -110.562227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.562227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.562227 (E_RNA)
where:
Base-Base interactions energy: -35.332
where: short stacking energy: -34.536
Base-Backbone interact. energy: 0.301
local terms energy: -75.530569
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: 0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -110.529613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.529613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.529613 (E_RNA)
where:
Base-Base interactions energy: -47.160
where: short stacking energy: -37.592
Base-Backbone interact. energy: -0.491
local terms energy: -62.878458
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -7.349
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: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -100.309512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.309512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.309512 (E_RNA)
where:
Base-Base interactions energy: -31.922
where: short stacking energy: -31.758
Base-Backbone interact. energy: 0.533
local terms energy: -68.919830
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -92.387733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.387733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.387733 (E_RNA)
where:
Base-Base interactions energy: -32.895
where: short stacking energy: -27.120
Base-Backbone interact. energy: -0.381
local terms energy: -59.112139
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: 0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -236.451830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.451830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.451830 (E_RNA)
where:
Base-Base interactions energy: -126.787
where: short stacking energy: -80.335
Base-Backbone interact. energy: -0.143
local terms energy: -109.521974
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -23.627
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: -23.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -227.684399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.684399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.684399 (E_RNA)
where:
Base-Base interactions energy: -128.941
where: short stacking energy: -87.035
Base-Backbone interact. energy: -0.009
local terms energy: -98.733574
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -24.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -223.402031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.402031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.402031 (E_RNA)
where:
Base-Base interactions energy: -125.735
where: short stacking energy: -84.807
Base-Backbone interact. energy: -0.101
local terms energy: -97.566556
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -22.283
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -23.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -144.003854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.003854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.003854 (E_RNA)
where:
Base-Base interactions energy: -57.847
where: short stacking energy: -55.122
Base-Backbone interact. energy: -0.105
local terms energy: -86.051135
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -11.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -157.425801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.425801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.425801 (E_RNA)
where:
Base-Base interactions energy: -85.077
where: short stacking energy: -49.265
Base-Backbone interact. energy: -0.657
local terms energy: -71.691925
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -121.897994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.897994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.897994 (E_RNA)
where:
Base-Base interactions energy: -51.338
where: short stacking energy: -51.338
Base-Backbone interact. energy: 0.078
local terms energy: -70.638664
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -120.043681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.043681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.043681 (E_RNA)
where:
Base-Base interactions energy: -54.353
where: short stacking energy: -46.280
Base-Backbone interact. energy: -0.083
local terms energy: -65.608139
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -13.101
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: 16
Temperature: 1.250000
Total energy: -108.280972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.280972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.280972 (E_RNA)
where:
Base-Base interactions energy: -40.165
where: short stacking energy: -40.145
Base-Backbone interact. energy: -0.010
local terms energy: -68.105710
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -8.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -124.725801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.725801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.725801 (E_RNA)
where:
Base-Base interactions energy: -45.653
where: short stacking energy: -45.653
Base-Backbone interact. energy: -0.227
local terms energy: -78.846381
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -8.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -92.590357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.590357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.590357 (E_RNA)
where:
Base-Base interactions energy: -29.080
where: short stacking energy: -28.903
Base-Backbone interact. energy: -0.742
local terms energy: -62.768674
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: 0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -248.838783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.838783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.838783 (E_RNA)
where:
Base-Base interactions energy: -146.438
where: short stacking energy: -93.818
Base-Backbone interact. energy: -0.020
local terms energy: -102.380721
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -17.053
flat angles C4'-P-C4' energy: -22.792
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -27.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -229.794389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.794389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.794389 (E_RNA)
where:
Base-Base interactions energy: -126.937
where: short stacking energy: -72.131
Base-Backbone interact. energy: -0.197
local terms energy: -102.659903
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -15.899
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: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -203.484053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.484053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.484053 (E_RNA)
where:
Base-Base interactions energy: -104.599
where: short stacking energy: -75.796
Base-Backbone interact. energy: -0.376
local terms energy: -98.508736
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -173.702053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.702053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.702053 (E_RNA)
where:
Base-Base interactions energy: -83.056
where: short stacking energy: -52.808
Base-Backbone interact. energy: -0.212
local terms energy: -90.434463
where:
bonds (distance) C4'-P energy: -20.875
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -150.971650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.971650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.971650 (E_RNA)
where:
Base-Base interactions energy: -70.893
where: short stacking energy: -41.554
Base-Backbone interact. energy: -0.479
local terms energy: -79.600048
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -9.750
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: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -136.757304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.757304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.757304 (E_RNA)
where:
Base-Base interactions energy: -54.297
where: short stacking energy: -54.297
Base-Backbone interact. energy: 0.414
local terms energy: -82.874886
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -9.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -133.932672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.932672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.932672 (E_RNA)
where:
Base-Base interactions energy: -56.554
where: short stacking energy: -55.079
Base-Backbone interact. energy: -0.130
local terms energy: -77.248384
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -109.803445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.803445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.803445 (E_RNA)
where:
Base-Base interactions energy: -50.252
where: short stacking energy: -45.220
Base-Backbone interact. energy: 0.663
local terms energy: -60.214245
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -111.233781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.233781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.233781 (E_RNA)
where:
Base-Base interactions energy: -38.495
where: short stacking energy: -38.495
Base-Backbone interact. energy: -0.241
local terms energy: -72.498034
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -93.501217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.501217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.501217 (E_RNA)
where:
Base-Base interactions energy: -23.248
where: short stacking energy: -22.153
Base-Backbone interact. energy: -0.330
local terms energy: -69.923177
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: 2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -249.242579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.242579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.242579 (E_RNA)
where:
Base-Base interactions energy: -141.793
where: short stacking energy: -87.598
Base-Backbone interact. energy: -0.026
local terms energy: -107.422949
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -29.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -249.313659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.313659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.313659 (E_RNA)
where:
Base-Base interactions energy: -142.002
where: short stacking energy: -97.301
Base-Backbone interact. energy: -0.060
local terms energy: -107.252411
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -23.942
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -28.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -207.179785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.179785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.179785 (E_RNA)
where:
Base-Base interactions energy: -106.320
where: short stacking energy: -72.893
Base-Backbone interact. energy: -0.124
local terms energy: -100.735704
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -29.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -179.140053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.140053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.140053 (E_RNA)
where:
Base-Base interactions energy: -85.421
where: short stacking energy: -58.495
Base-Backbone interact. energy: -0.300
local terms energy: -93.418638
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -22.875
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -12.862
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: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -126.177224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.177224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.177224 (E_RNA)
where:
Base-Base interactions energy: -46.890
where: short stacking energy: -46.771
Base-Backbone interact. energy: -0.210
local terms energy: -79.076889
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -10.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -131.243154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.243154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.243154 (E_RNA)
where:
Base-Base interactions energy: -46.623
where: short stacking energy: -46.623
Base-Backbone interact. energy: -0.007
local terms energy: -84.613111
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -24.453
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -12.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -112.464867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.464867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.464867 (E_RNA)
where:
Base-Base interactions energy: -38.874
where: short stacking energy: -29.580
Base-Backbone interact. energy: -0.256
local terms energy: -73.334673
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -7.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -109.427254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.427254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.427254 (E_RNA)
where:
Base-Base interactions energy: -38.088
where: short stacking energy: -38.088
Base-Backbone interact. energy: -0.141
local terms energy: -71.198872
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -114.911547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.911547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.911547 (E_RNA)
where:
Base-Base interactions energy: -42.741
where: short stacking energy: -42.073
Base-Backbone interact. energy: -0.107
local terms energy: -72.064008
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -8.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -90.979581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.979581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.979581 (E_RNA)
where:
Base-Base interactions energy: -25.929
where: short stacking energy: -26.029
Base-Backbone interact. energy: -0.305
local terms energy: -64.745317
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: 0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -251.145964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.145964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.145964 (E_RNA)
where:
Base-Base interactions energy: -152.224
where: short stacking energy: -85.163
Base-Backbone interact. energy: 1.914
local terms energy: -100.835981
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -23.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -221.379429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.379429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.379429 (E_RNA)
where:
Base-Base interactions energy: -121.968
where: short stacking energy: -86.396
Base-Backbone interact. energy: -0.074
local terms energy: -99.337127
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -25.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -218.652405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.652405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.652405 (E_RNA)
where:
Base-Base interactions energy: -118.755
where: short stacking energy: -71.820
Base-Backbone interact. energy: 0.395
local terms energy: -100.293118
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -17.422
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -17.503
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: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -171.746073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.746073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.746073 (E_RNA)
where:
Base-Base interactions energy: -87.991
where: short stacking energy: -61.240
Base-Backbone interact. energy: 1.521
local terms energy: -85.276104
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -133.944900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.944900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.944900 (E_RNA)
where:
Base-Base interactions energy: -52.510
where: short stacking energy: -52.510
Base-Backbone interact. energy: 1.058
local terms energy: -82.493044
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -138.456091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.456091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.456091 (E_RNA)
where:
Base-Base interactions energy: -55.076
where: short stacking energy: -55.076
Base-Backbone interact. energy: -0.086
local terms energy: -83.293770
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -117.293422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.293422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.293422 (E_RNA)
where:
Base-Base interactions energy: -43.573
where: short stacking energy: -43.573
Base-Backbone interact. energy: -0.005
local terms energy: -73.716225
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -6.501
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: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -102.265179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.265179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.265179 (E_RNA)
where:
Base-Base interactions energy: -46.083
where: short stacking energy: -34.742
Base-Backbone interact. energy: 2.329
local terms energy: -58.511818
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -12.879
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: 9, replica: 3
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -113.813721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.813721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.813721 (E_RNA)
where:
Base-Base interactions energy: -45.114
where: short stacking energy: -41.504
Base-Backbone interact. energy: -0.309
local terms energy: -68.390109
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -108.129500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.129500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.129500 (E_RNA)
where:
Base-Base interactions energy: -41.765
where: short stacking energy: -37.697
Base-Backbone interact. energy: -1.406
local terms energy: -64.957892
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -5.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -257.824447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.824447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.824447 (E_RNA)
where:
Base-Base interactions energy: -152.495
where: short stacking energy: -87.177
Base-Backbone interact. energy: -0.109
local terms energy: -105.220165
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -27.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -254.649914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.649914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.649914 (E_RNA)
where:
Base-Base interactions energy: -156.983
where: short stacking energy: -103.224
Base-Backbone interact. energy: 0.423
local terms energy: -98.090121
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -12.429
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: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -194.792259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.792259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.792259 (E_RNA)
where:
Base-Base interactions energy: -105.890
where: short stacking energy: -77.461
Base-Backbone interact. energy: -0.372
local terms energy: -88.529921
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -17.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -211.285786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.285786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.285786 (E_RNA)
where:
Base-Base interactions energy: -120.143
where: short stacking energy: -73.251
Base-Backbone interact. energy: -0.163
local terms energy: -90.980076
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -21.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -140.403427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.403427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.403427 (E_RNA)
where:
Base-Base interactions energy: -61.442
where: short stacking energy: -61.442
Base-Backbone interact. energy: -0.100
local terms energy: -78.861196
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -145.344340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.344340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.344340 (E_RNA)
where:
Base-Base interactions energy: -58.284
where: short stacking energy: -58.284
Base-Backbone interact. energy: -0.391
local terms energy: -86.669737
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -13.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -124.483008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.483008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.483008 (E_RNA)
where:
Base-Base interactions energy: -45.994
where: short stacking energy: -42.926
Base-Backbone interact. energy: 0.873
local terms energy: -79.362608
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -6.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -112.495185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.495185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.495185 (E_RNA)
where:
Base-Base interactions energy: -43.976
where: short stacking energy: -43.976
Base-Backbone interact. energy: -0.196
local terms energy: -68.323449
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -110.209425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.209425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.209425 (E_RNA)
where:
Base-Base interactions energy: -37.614
where: short stacking energy: -32.874
Base-Backbone interact. energy: -0.183
local terms energy: -72.412808
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -9.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -98.986548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.986548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.986548 (E_RNA)
where:
Base-Base interactions energy: -28.962
where: short stacking energy: -22.458
Base-Backbone interact. energy: -0.148
local terms energy: -69.875979
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -22.236
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -1.309
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: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -255.407001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.407001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.407001 (E_RNA)
where:
Base-Base interactions energy: -149.853
where: short stacking energy: -89.125
Base-Backbone interact. energy: -0.087
local terms energy: -105.467177
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -30.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -235.353966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.353966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.353966 (E_RNA)
where:
Base-Base interactions energy: -139.837
where: short stacking energy: -75.018
Base-Backbone interact. energy: -0.286
local terms energy: -95.231149
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -201.552347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.552347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.552347 (E_RNA)
where:
Base-Base interactions energy: -104.836
where: short stacking energy: -72.975
Base-Backbone interact. energy: -0.149
local terms energy: -96.567531
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -21.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -220.609207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.609207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.609207 (E_RNA)
where:
Base-Base interactions energy: -126.577
where: short stacking energy: -78.960
Base-Backbone interact. energy: -0.313
local terms energy: -93.719007
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -25.749
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -144.733133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.733133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.733133 (E_RNA)
where:
Base-Base interactions energy: -67.112
where: short stacking energy: -64.525
Base-Backbone interact. energy: -0.049
local terms energy: -77.571817
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -138.060469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.060469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.060469 (E_RNA)
where:
Base-Base interactions energy: -57.363
where: short stacking energy: -57.177
Base-Backbone interact. energy: -0.084
local terms energy: -80.612946
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -20.326
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -11.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -126.104370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.104370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.104370 (E_RNA)
where:
Base-Base interactions energy: -45.679
where: short stacking energy: -41.453
Base-Backbone interact. energy: -0.098
local terms energy: -80.328052
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -21.201
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -103.718951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.718951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.718951 (E_RNA)
where:
Base-Base interactions energy: -40.351
where: short stacking energy: -27.465
Base-Backbone interact. energy: -0.134
local terms energy: -63.233942
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -15.382
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: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -120.639442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.639442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.639442 (E_RNA)
where:
Base-Base interactions energy: -51.570
where: short stacking energy: -32.858
Base-Backbone interact. energy: 1.263
local terms energy: -70.332411
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -1.620
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: 3
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -102.227707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.227707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.227707 (E_RNA)
where:
Base-Base interactions energy: -31.413
where: short stacking energy: -30.314
Base-Backbone interact. energy: -0.104
local terms energy: -70.710702
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -249.657514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.657514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.657514 (E_RNA)
where:
Base-Base interactions energy: -144.210
where: short stacking energy: -102.602
Base-Backbone interact. energy: -0.010
local terms energy: -105.437723
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -20.434
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -29.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -243.720309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.720309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.720309 (E_RNA)
where:
Base-Base interactions energy: -142.895
where: short stacking energy: -90.477
Base-Backbone interact. energy: -0.262
local terms energy: -100.563463
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -27.942
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: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -226.054015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.054015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.054015 (E_RNA)
where:
Base-Base interactions energy: -133.034
where: short stacking energy: -71.816
Base-Backbone interact. energy: -0.033
local terms energy: -92.986758
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -20.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -186.132536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.132536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.132536 (E_RNA)
where:
Base-Base interactions energy: -86.096
where: short stacking energy: -60.463
Base-Backbone interact. energy: -0.042
local terms energy: -99.994881
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -140.743419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.743419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.743419 (E_RNA)
where:
Base-Base interactions energy: -59.261
where: short stacking energy: -59.261
Base-Backbone interact. energy: 0.412
local terms energy: -81.894541
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -134.957976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.957976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.957976 (E_RNA)
where:
Base-Base interactions energy: -52.827
where: short stacking energy: -51.065
Base-Backbone interact. energy: 0.132
local terms energy: -82.262858
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -11.373
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: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -109.672754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.672754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.672754 (E_RNA)
where:
Base-Base interactions energy: -42.342
where: short stacking energy: -43.042
Base-Backbone interact. energy: 3.495
local terms energy: -70.826221
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -6.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -118.923194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.923194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.923194 (E_RNA)
where:
Base-Base interactions energy: -52.196
where: short stacking energy: -42.998
Base-Backbone interact. energy: 1.989
local terms energy: -68.715492
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -107.160272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.160272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.160272 (E_RNA)
where:
Base-Base interactions energy: -40.221
where: short stacking energy: -35.900
Base-Backbone interact. energy: 0.628
local terms energy: -67.567838
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -97.569459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.569459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.569459 (E_RNA)
where:
Base-Base interactions energy: -38.020
where: short stacking energy: -38.020
Base-Backbone interact. energy: -0.358
local terms energy: -59.191629
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -253.574131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.574131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.574131 (E_RNA)
where:
Base-Base interactions energy: -141.183
where: short stacking energy: -98.846
Base-Backbone interact. energy: -0.107
local terms energy: -112.283301
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -23.595
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -30.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -232.472698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.472698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.472698 (E_RNA)
where:
Base-Base interactions energy: -132.798
where: short stacking energy: -84.404
Base-Backbone interact. energy: -0.036
local terms energy: -99.638407
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -212.866903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.866903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.866903 (E_RNA)
where:
Base-Base interactions energy: -117.568
where: short stacking energy: -63.938
Base-Backbone interact. energy: 0.256
local terms energy: -95.554213
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -21.823
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: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -200.188599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.188599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.188599 (E_RNA)
where:
Base-Base interactions energy: -113.427
where: short stacking energy: -74.277
Base-Backbone interact. energy: -0.066
local terms energy: -86.695685
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -15.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -139.135292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.135292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.135292 (E_RNA)
where:
Base-Base interactions energy: -59.645
where: short stacking energy: -59.645
Base-Backbone interact. energy: -0.175
local terms energy: -79.315641
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -22.776
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -146.488909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.488909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.488909 (E_RNA)
where:
Base-Base interactions energy: -56.212
where: short stacking energy: -54.069
Base-Backbone interact. energy: -0.123
local terms energy: -90.154443
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -21.854
flat angles C4'-P-C4' energy: -26.762
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -10.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -133.022561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.022561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.022561 (E_RNA)
where:
Base-Base interactions energy: -48.852
where: short stacking energy: -48.852
Base-Backbone interact. energy: -0.244
local terms energy: -83.925624
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -23.188
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -12.984
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: 8, replica: 3
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -113.664469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.664469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.664469 (E_RNA)
where:
Base-Base interactions energy: -41.566
where: short stacking energy: -32.404
Base-Backbone interact. energy: 0.147
local terms energy: -72.245599
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -0.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -101.953041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.953041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.953041 (E_RNA)
where:
Base-Base interactions energy: -37.217
where: short stacking energy: -36.072
Base-Backbone interact. energy: -0.093
local terms energy: -64.642821
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -7.196
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -97.121086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.121086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.121086 (E_RNA)
where:
Base-Base interactions energy: -37.576
where: short stacking energy: -31.442
Base-Backbone interact. energy: -0.181
local terms energy: -59.363097
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -9.439
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: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -249.190738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.190738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.190738 (E_RNA)
where:
Base-Base interactions energy: -138.935
where: short stacking energy: -98.232
Base-Backbone interact. energy: -0.011
local terms energy: -110.244341
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -27.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -257.855284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.855284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.855284 (E_RNA)
where:
Base-Base interactions energy: -144.669
where: short stacking energy: -95.709
Base-Backbone interact. energy: -0.015
local terms energy: -113.171176
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -28.121
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: 24
Temperature: 1.000000
Total energy: -225.426071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.426071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.426071 (E_RNA)
where:
Base-Base interactions energy: -140.565
where: short stacking energy: -83.107
Base-Backbone interact. energy: -0.560
local terms energy: -84.301115
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -23.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -178.728478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.728478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.728478 (E_RNA)
where:
Base-Base interactions energy: -92.959
where: short stacking energy: -62.319
Base-Backbone interact. energy: -0.066
local terms energy: -85.702988
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -14.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -133.010045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.010045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.010045 (E_RNA)
where:
Base-Base interactions energy: -55.221
where: short stacking energy: -41.379
Base-Backbone interact. energy: -0.121
local terms energy: -77.668161
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -132.368683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.368683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.368683 (E_RNA)
where:
Base-Base interactions energy: -49.669
where: short stacking energy: -41.709
Base-Backbone interact. energy: -0.098
local terms energy: -82.601371
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -7.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -127.413068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.413068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.413068 (E_RNA)
where:
Base-Base interactions energy: -44.098
where: short stacking energy: -44.098
Base-Backbone interact. energy: -0.136
local terms energy: -83.178414
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -102.951383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.951383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.951383 (E_RNA)
where:
Base-Base interactions energy: -47.553
where: short stacking energy: -30.464
Base-Backbone interact. energy: -0.325
local terms energy: -55.073418
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: 4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -97.913453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.913453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.913453 (E_RNA)
where:
Base-Base interactions energy: -21.211
where: short stacking energy: -21.211
Base-Backbone interact. energy: -0.615
local terms energy: -76.087800
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: 1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -100.018248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.018248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.018248 (E_RNA)
where:
Base-Base interactions energy: -38.225
where: short stacking energy: -28.970
Base-Backbone interact. energy: 0.988
local terms energy: -62.781425
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -249.536218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.536218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.536218 (E_RNA)
where:
Base-Base interactions energy: -140.439
where: short stacking energy: -95.181
Base-Backbone interact. energy: -0.128
local terms energy: -108.968313
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -23.122
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -27.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -251.112711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.112711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.112711 (E_RNA)
where:
Base-Base interactions energy: -145.408
where: short stacking energy: -92.535
Base-Backbone interact. energy: -0.038
local terms energy: -105.667008
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -17.217
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: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -205.700736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.700736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.700736 (E_RNA)
where:
Base-Base interactions energy: -109.021
where: short stacking energy: -81.353
Base-Backbone interact. energy: -0.871
local terms energy: -95.808274
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -20.275
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: 4, replica: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -142.612452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.612452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.612452 (E_RNA)
where:
Base-Base interactions energy: -63.056
where: short stacking energy: -48.971
Base-Backbone interact. energy: -0.006
local terms energy: -79.550225
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -130.308495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.308495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.308495 (E_RNA)
where:
Base-Base interactions energy: -61.875
where: short stacking energy: -32.610
Base-Backbone interact. energy: -0.608
local terms energy: -67.825694
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -13.998
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: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -142.152835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.152835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.152835 (E_RNA)
where:
Base-Base interactions energy: -54.241
where: short stacking energy: -52.046
Base-Backbone interact. energy: -0.295
local terms energy: -87.617447
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -13.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -116.316530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.316530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.316530 (E_RNA)
where:
Base-Base interactions energy: -45.811
where: short stacking energy: -42.161
Base-Backbone interact. energy: -0.230
local terms energy: -70.276240
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -10.506
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: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -120.955620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.955620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.955620 (E_RNA)
where:
Base-Base interactions energy: -49.496
where: short stacking energy: -35.306
Base-Backbone interact. energy: -1.087
local terms energy: -70.372489
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -102.224334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.224334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.224334 (E_RNA)
where:
Base-Base interactions energy: -36.761
where: short stacking energy: -32.404
Base-Backbone interact. energy: -0.040
local terms energy: -65.423056
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -3.151
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: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -94.480666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.480666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.480666 (E_RNA)
where:
Base-Base interactions energy: -33.122
where: short stacking energy: -33.122
Base-Backbone interact. energy: -0.187
local terms energy: -61.171647
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: 2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -231.372044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.372044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.372044 (E_RNA)
where:
Base-Base interactions energy: -137.882
where: short stacking energy: -86.673
Base-Backbone interact. energy: -0.114
local terms energy: -93.376271
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -27.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -219.820643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.820643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.820643 (E_RNA)
where:
Base-Base interactions energy: -125.967
where: short stacking energy: -73.483
Base-Backbone interact. energy: -0.295
local terms energy: -93.557748
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -212.278696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.278696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.278696 (E_RNA)
where:
Base-Base interactions energy: -116.147
where: short stacking energy: -79.561
Base-Backbone interact. energy: -0.283
local terms energy: -95.848589
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -128.066633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.066633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.066633 (E_RNA)
where:
Base-Base interactions energy: -53.145
where: short stacking energy: -48.750
Base-Backbone interact. energy: 1.901
local terms energy: -76.822696
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -25.952
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -3.697
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: 26
Temperature: 1.100000
Total energy: -144.800668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.800668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.800668 (E_RNA)
where:
Base-Base interactions energy: -63.141
where: short stacking energy: -63.007
Base-Backbone interact. energy: -0.175
local terms energy: -81.484100
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -14.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -134.664619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.664619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.664619 (E_RNA)
where:
Base-Base interactions energy: -51.391
where: short stacking energy: -51.391
Base-Backbone interact. energy: -0.151
local terms energy: -83.122614
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -118.018124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.018124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.018124 (E_RNA)
where:
Base-Base interactions energy: -51.396
where: short stacking energy: -37.084
Base-Backbone interact. energy: -0.201
local terms energy: -66.421513
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -11.609
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: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -108.630122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.630122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.630122 (E_RNA)
where:
Base-Base interactions energy: -42.257
where: short stacking energy: -42.257
Base-Backbone interact. energy: -0.343
local terms energy: -66.029435
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -3.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -109.230299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.230299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.230299 (E_RNA)
where:
Base-Base interactions energy: -42.043
where: short stacking energy: -38.138
Base-Backbone interact. energy: 0.280
local terms energy: -67.466703
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -2.278
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: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -95.174621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.174621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.174621 (E_RNA)
where:
Base-Base interactions energy: -27.555
where: short stacking energy: -26.445
Base-Backbone interact. energy: -0.297
local terms energy: -67.322141
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: 0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -229.630420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.630420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.630420 (E_RNA)
where:
Base-Base interactions energy: -120.151
where: short stacking energy: -88.570
Base-Backbone interact. energy: -0.008
local terms energy: -109.471314
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -29.184
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: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -221.918460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.918460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.918460 (E_RNA)
where:
Base-Base interactions energy: -118.429
where: short stacking energy: -72.384
Base-Backbone interact. energy: -0.056
local terms energy: -103.433612
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -23.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -209.770878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.770878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.770878 (E_RNA)
where:
Base-Base interactions energy: -112.035
where: short stacking energy: -64.799
Base-Backbone interact. energy: 0.860
local terms energy: -98.595923
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -19.380
tors. eta vs tors. theta energy: -17.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -159.192347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.192347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.192347 (E_RNA)
where:
Base-Base interactions energy: -68.950
where: short stacking energy: -62.221
Base-Backbone interact. energy: -0.104
local terms energy: -90.138573
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -129.340682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.340682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.340682 (E_RNA)
where:
Base-Base interactions energy: -48.998
where: short stacking energy: -48.998
Base-Backbone interact. energy: -0.024
local terms energy: -80.318318
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -136.676111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.676111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.676111 (E_RNA)
where:
Base-Base interactions energy: -53.511
where: short stacking energy: -53.511
Base-Backbone interact. energy: -0.205
local terms energy: -82.959721
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -112.368074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.368074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.368074 (E_RNA)
where:
Base-Base interactions energy: -45.338
where: short stacking energy: -36.191
Base-Backbone interact. energy: -0.010
local terms energy: -67.020086
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -3.394
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: 3
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -108.222865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.222865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.222865 (E_RNA)
where:
Base-Base interactions energy: -39.606
where: short stacking energy: -36.387
Base-Backbone interact. energy: -0.053
local terms energy: -68.564151
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -100.820443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.820443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.820443 (E_RNA)
where:
Base-Base interactions energy: -28.667
where: short stacking energy: -28.303
Base-Backbone interact. energy: -0.784
local terms energy: -71.369670
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -112.298458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.298458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.298458 (E_RNA)
where:
Base-Base interactions energy: -41.344
where: short stacking energy: -37.194
Base-Backbone interact. energy: -0.122
local terms energy: -70.832844
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -7.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -244.677892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.677892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.677892 (E_RNA)
where:
Base-Base interactions energy: -136.594
where: short stacking energy: -87.375
Base-Backbone interact. energy: -0.093
local terms energy: -107.990588
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: -27.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -230.486859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.486859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.486859 (E_RNA)
where:
Base-Base interactions energy: -131.362
where: short stacking energy: -79.579
Base-Backbone interact. energy: -0.130
local terms energy: -98.994894
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -21.825
flat angles C4'-P-C4' energy: -24.550
flat angles P-C4'-P energy: -15.721
tors. eta vs tors. theta energy: -20.259
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: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -203.787981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.787981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.787981 (E_RNA)
where:
Base-Base interactions energy: -123.296
where: short stacking energy: -77.535
Base-Backbone interact. energy: -0.168
local terms energy: -80.324746
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -151.020593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.020593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.020593 (E_RNA)
where:
Base-Base interactions energy: -61.313
where: short stacking energy: -60.923
Base-Backbone interact. energy: -0.039
local terms energy: -89.668385
where:
bonds (distance) C4'-P energy: -22.689
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -140.633536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.633536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.633536 (E_RNA)
where:
Base-Base interactions energy: -58.243
where: short stacking energy: -57.982
Base-Backbone interact. energy: -0.008
local terms energy: -82.382716
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -13.795
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: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -142.757096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.757096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.757096 (E_RNA)
where:
Base-Base interactions energy: -70.898
where: short stacking energy: -45.813
Base-Backbone interact. energy: -0.271
local terms energy: -71.588226
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -126.662140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.662140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.662140 (E_RNA)
where:
Base-Base interactions energy: -41.521
where: short stacking energy: -41.521
Base-Backbone interact. energy: -0.143
local terms energy: -84.997725
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -8.263
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: 3
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -115.237152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.237152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.237152 (E_RNA)
where:
Base-Base interactions energy: -35.955
where: short stacking energy: -35.836
Base-Backbone interact. energy: 2.831
local terms energy: -82.113482
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -104.398996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.398996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.398996 (E_RNA)
where:
Base-Base interactions energy: -36.558
where: short stacking energy: -29.187
Base-Backbone interact. energy: -0.287
local terms energy: -67.553251
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -92.062390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.062390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.062390 (E_RNA)
where:
Base-Base interactions energy: -29.569
where: short stacking energy: -29.569
Base-Backbone interact. energy: -0.350
local terms energy: -62.142915
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -229.271768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.271768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.271768 (E_RNA)
where:
Base-Base interactions energy: -128.832
where: short stacking energy: -94.507
Base-Backbone interact. energy: -0.001
local terms energy: -100.438412
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -15.430
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: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -230.900454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.900454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.900454 (E_RNA)
where:
Base-Base interactions energy: -121.998
where: short stacking energy: -80.563
Base-Backbone interact. energy: 0.432
local terms energy: -109.334687
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -24.208
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -27.841
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: 29
Temperature: 1.000000
Total energy: -188.362567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.362567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.362567 (E_RNA)
where:
Base-Base interactions energy: -96.898
where: short stacking energy: -63.506
Base-Backbone interact. energy: -0.187
local terms energy: -91.277517
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -13.123
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: 4, replica: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -154.865465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.865465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.865465 (E_RNA)
where:
Base-Base interactions energy: -62.046
where: short stacking energy: -62.046
Base-Backbone interact. energy: -0.192
local terms energy: -92.628170
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -16.768
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -144.377995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.377995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.377995 (E_RNA)
where:
Base-Base interactions energy: -52.672
where: short stacking energy: -52.672
Base-Backbone interact. energy: -0.104
local terms energy: -91.601684
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -12.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -131.189146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.189146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.189146 (E_RNA)
where:
Base-Base interactions energy: -52.792
where: short stacking energy: -52.792
Base-Backbone interact. energy: -0.072
local terms energy: -78.325392
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -142.387298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.387298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.387298 (E_RNA)
where:
Base-Base interactions energy: -71.104
where: short stacking energy: -50.570
Base-Backbone interact. energy: -0.357
local terms energy: -70.926673
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -8.037
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: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -106.491660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.491660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.491660 (E_RNA)
where:
Base-Base interactions energy: -36.705
where: short stacking energy: -36.253
Base-Backbone interact. energy: -0.251
local terms energy: -69.535142
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: 1.075
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: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -91.147783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.147783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.147783 (E_RNA)
where:
Base-Base interactions energy: -30.692
where: short stacking energy: -23.060
Base-Backbone interact. energy: -0.248
local terms energy: -60.208001
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: 0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -106.045229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.045229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.045229 (E_RNA)
where:
Base-Base interactions energy: -32.091
where: short stacking energy: -32.091
Base-Backbone interact. energy: -0.319
local terms energy: -73.635763
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -8.151
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: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -246.684276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.684276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.684276 (E_RNA)
where:
Base-Base interactions energy: -142.533
where: short stacking energy: -89.303
Base-Backbone interact. energy: -0.105
local terms energy: -104.046056
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -31.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -201.989116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.989116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.989116 (E_RNA)
where:
Base-Base interactions energy: -101.017
where: short stacking energy: -71.717
Base-Backbone interact. energy: -0.141
local terms energy: -100.831845
where:
bonds (distance) C4'-P energy: -24.175
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -14.229
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: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -192.691780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.691780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.691780 (E_RNA)
where:
Base-Base interactions energy: -96.976
where: short stacking energy: -66.393
Base-Backbone interact. energy: -0.085
local terms energy: -95.631104
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -140.726263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.726263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.726263 (E_RNA)
where:
Base-Base interactions energy: -58.459
where: short stacking energy: -56.746
Base-Backbone interact. energy: -0.062
local terms energy: -82.205126
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -13.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -132.484928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.484928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.484928 (E_RNA)
where:
Base-Base interactions energy: -47.534
where: short stacking energy: -47.534
Base-Backbone interact. energy: -0.161
local terms energy: -84.790428
where:
bonds (distance) C4'-P energy: -23.229
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -8.701
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: 30
Temperature: 1.150000
Total energy: -118.536767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.536767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.536767 (E_RNA)
where:
Base-Base interactions energy: -41.156
where: short stacking energy: -39.935
Base-Backbone interact. energy: -0.124
local terms energy: -77.255879
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -12.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -123.411659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.411659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.411659 (E_RNA)
where:
Base-Base interactions energy: -54.297
where: short stacking energy: -53.944
Base-Backbone interact. energy: -0.085
local terms energy: -69.029966
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -10.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -110.438031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.438031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.438031 (E_RNA)
where:
Base-Base interactions energy: -43.205
where: short stacking energy: -38.946
Base-Backbone interact. energy: -0.864
local terms energy: -66.368970
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -103.707089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.707089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.707089 (E_RNA)
where:
Base-Base interactions energy: -34.215
where: short stacking energy: -34.215
Base-Backbone interact. energy: -0.178
local terms energy: -69.314081
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -5.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -99.047720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.047720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.047720 (E_RNA)
where:
Base-Base interactions energy: -36.761
where: short stacking energy: -36.010
Base-Backbone interact. energy: 0.551
local terms energy: -62.838129
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -237.472422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.472422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.472422 (E_RNA)
where:
Base-Base interactions energy: -130.235
where: short stacking energy: -82.451
Base-Backbone interact. energy: -0.159
local terms energy: -107.078461
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -24.086
flat angles P-C4'-P energy: -18.064
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: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -200.283220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.283220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.283220 (E_RNA)
where:
Base-Base interactions energy: -101.986
where: short stacking energy: -71.451
Base-Backbone interact. energy: -0.111
local terms energy: -98.185557
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -14.825
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: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -193.207414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.207414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.207414 (E_RNA)
where:
Base-Base interactions energy: -97.537
where: short stacking energy: -69.223
Base-Backbone interact. energy: -0.056
local terms energy: -95.615134
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -21.469
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: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -143.355923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.355923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.355923 (E_RNA)
where:
Base-Base interactions energy: -61.024
where: short stacking energy: -55.631
Base-Backbone interact. energy: 0.472
local terms energy: -82.803762
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -11.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -139.552287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.552287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.552287 (E_RNA)
where:
Base-Base interactions energy: -52.997
where: short stacking energy: -52.997
Base-Backbone interact. energy: -0.116
local terms energy: -86.439054
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -9.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -120.881373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.881373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.881373 (E_RNA)
where:
Base-Base interactions energy: -39.386
where: short stacking energy: -40.327
Base-Backbone interact. energy: -0.510
local terms energy: -80.986094
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -6.501
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: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -122.628274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.628274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.628274 (E_RNA)
where:
Base-Base interactions energy: -49.158
where: short stacking energy: -46.652
Base-Backbone interact. energy: -0.033
local terms energy: -73.438086
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -117.452747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.452747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.452747 (E_RNA)
where:
Base-Base interactions energy: -40.477
where: short stacking energy: -30.721
Base-Backbone interact. energy: -0.154
local terms energy: -76.822314
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -110.474156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.474156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.474156 (E_RNA)
where:
Base-Base interactions energy: -46.040
where: short stacking energy: -40.357
Base-Backbone interact. energy: -0.462
local terms energy: -63.972498
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -4.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -91.541761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.541761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.541761 (E_RNA)
where:
Base-Base interactions energy: -27.635
where: short stacking energy: -27.635
Base-Backbone interact. energy: -0.581
local terms energy: -63.325586
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: 2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -260.426436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.426436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.426436 (E_RNA)
where:
Base-Base interactions energy: -149.943
where: short stacking energy: -97.743
Base-Backbone interact. energy: -0.261
local terms energy: -110.222992
where:
bonds (distance) C4'-P energy: -21.110
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -17.275
tors. eta vs tors. theta energy: -28.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -212.173237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.173237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.173237 (E_RNA)
where:
Base-Base interactions energy: -117.160
where: short stacking energy: -82.941
Base-Backbone interact. energy: -0.202
local terms energy: -94.811151
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -195.334317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.334317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.334317 (E_RNA)
where:
Base-Base interactions energy: -96.168
where: short stacking energy: -70.541
Base-Backbone interact. energy: -0.401
local terms energy: -98.765611
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -19.154
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: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -143.007394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.007394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.007394 (E_RNA)
where:
Base-Base interactions energy: -54.412
where: short stacking energy: -50.951
Base-Backbone interact. energy: -0.480
local terms energy: -88.115532
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -23.340
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -144.577698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.577698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.577698 (E_RNA)
where:
Base-Base interactions energy: -64.033
where: short stacking energy: -60.302
Base-Backbone interact. energy: -0.038
local terms energy: -80.506881
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -11.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -127.096375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.096375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.096375 (E_RNA)
where:
Base-Base interactions energy: -46.305
where: short stacking energy: -44.700
Base-Backbone interact. energy: -0.322
local terms energy: -80.470134
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -13.522
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: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -130.067307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.067307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.067307 (E_RNA)
where:
Base-Base interactions energy: -58.282
where: short stacking energy: -46.602
Base-Backbone interact. energy: -0.334
local terms energy: -71.451363
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -106.464588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.464588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.464588 (E_RNA)
where:
Base-Base interactions energy: -37.842
where: short stacking energy: -32.586
Base-Backbone interact. energy: -0.383
local terms energy: -68.239133
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -118.998596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.998596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.998596 (E_RNA)
where:
Base-Base interactions energy: -44.117
where: short stacking energy: -44.117
Base-Backbone interact. energy: 0.008
local terms energy: -74.889826
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -102.515845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.515845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.515845 (E_RNA)
where:
Base-Base interactions energy: -31.067
where: short stacking energy: -21.343
Base-Backbone interact. energy: 1.364
local terms energy: -72.813106
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -233.404834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.404834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.404834 (E_RNA)
where:
Base-Base interactions energy: -130.022
where: short stacking energy: -86.362
Base-Backbone interact. energy: -0.112
local terms energy: -103.270709
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -23.812
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -24.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -217.909295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.909295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.909295 (E_RNA)
where:
Base-Base interactions energy: -117.956
where: short stacking energy: -65.178
Base-Backbone interact. energy: -0.035
local terms energy: -99.917757
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -23.131
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -21.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -204.572332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.572332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.572332 (E_RNA)
where:
Base-Base interactions energy: -110.356
where: short stacking energy: -74.303
Base-Backbone interact. energy: -0.090
local terms energy: -94.126060
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -15.481
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: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -150.971033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.971033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.971033 (E_RNA)
where:
Base-Base interactions energy: -64.881
where: short stacking energy: -64.881
Base-Backbone interact. energy: -0.308
local terms energy: -85.782256
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -17.018
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: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -132.904056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.904056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.904056 (E_RNA)
where:
Base-Base interactions energy: -58.183
where: short stacking energy: -58.183
Base-Backbone interact. energy: -0.165
local terms energy: -74.556190
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -10.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -156.177040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.177040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.177040 (E_RNA)
where:
Base-Base interactions energy: -76.487
where: short stacking energy: -55.197
Base-Backbone interact. energy: -0.347
local terms energy: -79.342651
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -21.227
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -121.544198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.544198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.544198 (E_RNA)
where:
Base-Base interactions energy: -49.596
where: short stacking energy: -38.307
Base-Backbone interact. energy: -0.090
local terms energy: -71.858614
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -127.389953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.389953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.389953 (E_RNA)
where:
Base-Base interactions energy: -46.987
where: short stacking energy: -46.021
Base-Backbone interact. energy: -0.562
local terms energy: -79.840475
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -9.654
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: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -115.514171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.514171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.514171 (E_RNA)
where:
Base-Base interactions energy: -50.469
where: short stacking energy: -50.469
Base-Backbone interact. energy: -0.143
local terms energy: -64.902041
where:
bonds (distance) C4'-P energy: -9.711
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -7.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -95.496332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.496332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.496332 (E_RNA)
where:
Base-Base interactions energy: -29.793
where: short stacking energy: -30.993
Base-Backbone interact. energy: -1.090
local terms energy: -64.613908
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -231.951516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.951516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.951516 (E_RNA)
where:
Base-Base interactions energy: -123.071
where: short stacking energy: -77.080
Base-Backbone interact. energy: 1.619
local terms energy: -110.499752
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -26.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -238.786723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.786723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.786723 (E_RNA)
where:
Base-Base interactions energy: -138.822
where: short stacking energy: -91.509
Base-Backbone interact. energy: -0.021
local terms energy: -99.943071
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -26.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -201.646271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.646271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.646271 (E_RNA)
where:
Base-Base interactions energy: -103.683
where: short stacking energy: -73.471
Base-Backbone interact. energy: -0.102
local terms energy: -97.861131
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -21.624
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -26.342
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: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -150.439356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.439356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.439356 (E_RNA)
where:
Base-Base interactions energy: -64.065
where: short stacking energy: -60.714
Base-Backbone interact. energy: -0.164
local terms energy: -86.209985
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -13.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -123.081900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.081900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.081900 (E_RNA)
where:
Base-Base interactions energy: -52.947
where: short stacking energy: -47.270
Base-Backbone interact. energy: -0.216
local terms energy: -69.919563
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -129.357684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.357684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.357684 (E_RNA)
where:
Base-Base interactions energy: -46.075
where: short stacking energy: -45.143
Base-Backbone interact. energy: 0.942
local terms energy: -84.225203
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -11.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -127.849688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.849688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.849688 (E_RNA)
where:
Base-Base interactions energy: -49.320
where: short stacking energy: -46.451
Base-Backbone interact. energy: -0.127
local terms energy: -78.403068
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -5.520
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: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -107.863262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.863262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.863262 (E_RNA)
where:
Base-Base interactions energy: -35.648
where: short stacking energy: -33.988
Base-Backbone interact. energy: -0.216
local terms energy: -71.999065
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -107.831491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.831491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.831491 (E_RNA)
where:
Base-Base interactions energy: -30.639
where: short stacking energy: -28.337
Base-Backbone interact. energy: -0.105
local terms energy: -77.086979
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -100.855037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.855037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.855037 (E_RNA)
where:
Base-Base interactions energy: -36.068
where: short stacking energy: -35.513
Base-Backbone interact. energy: 0.146
local terms energy: -64.933233
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -23.618
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: 0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -223.728194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.728194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.728194 (E_RNA)
where:
Base-Base interactions energy: -123.071
where: short stacking energy: -94.948
Base-Backbone interact. energy: -0.026
local terms energy: -100.632179
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -26.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -245.203351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.203351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.203351 (E_RNA)
where:
Base-Base interactions energy: -141.137
where: short stacking energy: -95.232
Base-Backbone interact. energy: -0.347
local terms energy: -103.719729
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -22.070
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -27.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -168.093937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.093937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.093937 (E_RNA)
where:
Base-Base interactions energy: -91.606
where: short stacking energy: -61.040
Base-Backbone interact. energy: 0.736
local terms energy: -77.223952
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -166.521929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.521929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.521929 (E_RNA)
where:
Base-Base interactions energy: -74.156
where: short stacking energy: -66.623
Base-Backbone interact. energy: -0.275
local terms energy: -92.091219
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -17.847
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: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -132.287371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.287371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.287371 (E_RNA)
where:
Base-Base interactions energy: -45.964
where: short stacking energy: -44.586
Base-Backbone interact. energy: -0.083
local terms energy: -86.240460
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -115.016203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.016203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.016203 (E_RNA)
where:
Base-Base interactions energy: -37.802
where: short stacking energy: -35.911
Base-Backbone interact. energy: -0.336
local terms energy: -76.878894
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -25.111
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -116.211567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.211567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.211567 (E_RNA)
where:
Base-Base interactions energy: -42.430
where: short stacking energy: -33.488
Base-Backbone interact. energy: -0.202
local terms energy: -73.579482
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -108.983749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.983749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.983749 (E_RNA)
where:
Base-Base interactions energy: -48.331
where: short stacking energy: -33.681
Base-Backbone interact. energy: -0.131
local terms energy: -60.521426
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -6.120
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: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -105.999647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.999647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.999647 (E_RNA)
where:
Base-Base interactions energy: -40.775
where: short stacking energy: -37.246
Base-Backbone interact. energy: 2.935
local terms energy: -68.159811
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -24.553
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -101.600852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.600852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.600852 (E_RNA)
where:
Base-Base interactions energy: -34.201
where: short stacking energy: -18.887
Base-Backbone interact. energy: -0.242
local terms energy: -67.158058
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -15.762
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: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -236.734852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.734852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.734852 (E_RNA)
where:
Base-Base interactions energy: -137.887
where: short stacking energy: -85.344
Base-Backbone interact. energy: -0.156
local terms energy: -98.691498
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -20.173
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: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -233.662084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.662084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.662084 (E_RNA)
where:
Base-Base interactions energy: -123.511
where: short stacking energy: -100.189
Base-Backbone interact. energy: 0.572
local terms energy: -110.723038
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -27.260
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -25.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -169.625380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.625380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.625380 (E_RNA)
where:
Base-Base interactions energy: -78.263
where: short stacking energy: -59.676
Base-Backbone interact. energy: 0.062
local terms energy: -91.424131
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -22.778
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -175.557000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.557000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.557000 (E_RNA)
where:
Base-Base interactions energy: -91.005
where: short stacking energy: -60.846
Base-Backbone interact. energy: 0.300
local terms energy: -84.851745
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -11.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -151.127472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.127472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.127472 (E_RNA)
where:
Base-Base interactions energy: -72.148
where: short stacking energy: -48.778
Base-Backbone interact. energy: -0.239
local terms energy: -78.739913
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -126.553828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.553828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.553828 (E_RNA)
where:
Base-Base interactions energy: -52.930
where: short stacking energy: -52.818
Base-Backbone interact. energy: -0.574
local terms energy: -73.049028
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -7.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -122.341899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.341899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.341899 (E_RNA)
where:
Base-Base interactions energy: -46.874
where: short stacking energy: -46.874
Base-Backbone interact. energy: 3.306
local terms energy: -78.773911
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -22.104
flat angles P-C4'-P energy: -8.775
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: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -108.467986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.467986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.467986 (E_RNA)
where:
Base-Base interactions energy: -31.695
where: short stacking energy: -31.695
Base-Backbone interact. energy: -0.015
local terms energy: -76.757988
where:
bonds (distance) C4'-P energy: -20.064
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -104.746628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.746628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.746628 (E_RNA)
where:
Base-Base interactions energy: -44.131
where: short stacking energy: -44.131
Base-Backbone interact. energy: -0.183
local terms energy: -60.432802
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -3.225
tors. eta vs tors. theta energy: -6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -99.890489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.890489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.890489 (E_RNA)
where:
Base-Base interactions energy: -37.138
where: short stacking energy: -31.164
Base-Backbone interact. energy: 1.178
local terms energy: -63.929587
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -1.933
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: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -240.717081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.717081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.717081 (E_RNA)
where:
Base-Base interactions energy: -139.152
where: short stacking energy: -80.900
Base-Backbone interact. energy: -1.581
local terms energy: -99.984283
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -243.696076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.696076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.696076 (E_RNA)
where:
Base-Base interactions energy: -133.667
where: short stacking energy: -99.682
Base-Backbone interact. energy: -0.090
local terms energy: -109.938779
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -18.923
tors. eta vs tors. theta energy: -31.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -173.627674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.627674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.627674 (E_RNA)
where:
Base-Base interactions energy: -81.361
where: short stacking energy: -81.361
Base-Backbone interact. energy: -0.007
local terms energy: -92.259572
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -20.299
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: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -174.914826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.914826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.914826 (E_RNA)
where:
Base-Base interactions energy: -101.939
where: short stacking energy: -70.715
Base-Backbone interact. energy: -0.040
local terms energy: -72.936178
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -10.720
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: 5, replica: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -168.699291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.699291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.699291 (E_RNA)
where:
Base-Base interactions energy: -92.894
where: short stacking energy: -62.704
Base-Backbone interact. energy: 0.550
local terms energy: -76.355060
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -21.528
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -157.513920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.513920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.513920 (E_RNA)
where:
Base-Base interactions energy: -69.459
where: short stacking energy: -69.459
Base-Backbone interact. energy: -0.011
local terms energy: -88.044229
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -10.077
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: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -128.097734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.097734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.097734 (E_RNA)
where:
Base-Base interactions energy: -48.611
where: short stacking energy: -43.527
Base-Backbone interact. energy: -0.116
local terms energy: -79.370681
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -14.290
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: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -98.852212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.852212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.852212 (E_RNA)
where:
Base-Base interactions energy: -30.724
where: short stacking energy: -30.724
Base-Backbone interact. energy: 2.472
local terms energy: -70.600247
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -105.257286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.257286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.257286 (E_RNA)
where:
Base-Base interactions energy: -39.779
where: short stacking energy: -39.779
Base-Backbone interact. energy: -0.383
local terms energy: -65.095245
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -18.599
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -2.494
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: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -89.356711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.356711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.356711 (E_RNA)
where:
Base-Base interactions energy: -36.100
where: short stacking energy: -32.047
Base-Backbone interact. energy: -0.508
local terms energy: -52.749169
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: 1.332
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: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -231.616776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.616776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.616776 (E_RNA)
where:
Base-Base interactions energy: -122.395
where: short stacking energy: -93.101
Base-Backbone interact. energy: -0.055
local terms energy: -109.167339
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -32.291
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: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -244.066857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.066857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.066857 (E_RNA)
where:
Base-Base interactions energy: -135.691
where: short stacking energy: -77.537
Base-Backbone interact. energy: -0.012
local terms energy: -108.363813
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -25.725
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -25.904
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: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -189.449014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.449014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.449014 (E_RNA)
where:
Base-Base interactions energy: -104.347
where: short stacking energy: -52.931
Base-Backbone interact. energy: -0.152
local terms energy: -84.949465
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -10.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -179.714964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.714964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.714964 (E_RNA)
where:
Base-Base interactions energy: -99.831
where: short stacking energy: -67.543
Base-Backbone interact. energy: -0.075
local terms energy: -79.809407
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -140.053718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.053718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.053718 (E_RNA)
where:
Base-Base interactions energy: -59.765
where: short stacking energy: -47.445
Base-Backbone interact. energy: 0.292
local terms energy: -80.581361
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -8.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -126.093833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.093833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.093833 (E_RNA)
where:
Base-Base interactions energy: -47.075
where: short stacking energy: -47.075
Base-Backbone interact. energy: -0.232
local terms energy: -78.787366
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -9.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -122.336035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.336035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.336035 (E_RNA)
where:
Base-Base interactions energy: -47.079
where: short stacking energy: -47.079
Base-Backbone interact. energy: 2.264
local terms energy: -77.521006
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -17.632
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -122.721791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.721791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.721791 (E_RNA)
where:
Base-Base interactions energy: -51.489
where: short stacking energy: -32.129
Base-Backbone interact. energy: -0.011
local terms energy: -71.221077
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: 3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -103.460344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.460344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.460344 (E_RNA)
where:
Base-Base interactions energy: -31.714
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.332
local terms energy: -71.415117
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -99.792675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.792675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.792675 (E_RNA)
where:
Base-Base interactions energy: -33.629
where: short stacking energy: -33.629
Base-Backbone interact. energy: -0.098
local terms energy: -66.066524
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -5.360
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: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -225.186593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.186593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.186593 (E_RNA)
where:
Base-Base interactions energy: -115.233
where: short stacking energy: -91.357
Base-Backbone interact. energy: -0.018
local terms energy: -109.935272
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -25.325
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -26.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -260.909754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.909754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.909754 (E_RNA)
where:
Base-Base interactions energy: -149.245
where: short stacking energy: -98.524
Base-Backbone interact. energy: -0.074
local terms energy: -111.591010
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: -30.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -181.349437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.349437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.349437 (E_RNA)
where:
Base-Base interactions energy: -89.085
where: short stacking energy: -68.119
Base-Backbone interact. energy: 0.213
local terms energy: -92.477322
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -132.025357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.025357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.025357 (E_RNA)
where:
Base-Base interactions energy: -52.982
where: short stacking energy: -50.642
Base-Backbone interact. energy: -0.235
local terms energy: -78.808028
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -163.923917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.923917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.923917 (E_RNA)
where:
Base-Base interactions energy: -83.525
where: short stacking energy: -57.957
Base-Backbone interact. energy: -0.097
local terms energy: -80.301356
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -22.774
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -8.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -133.749820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.749820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.749820 (E_RNA)
where:
Base-Base interactions energy: -56.331
where: short stacking energy: -55.597
Base-Backbone interact. energy: -0.067
local terms energy: -77.351649
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -121.630849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.630849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.630849 (E_RNA)
where:
Base-Base interactions energy: -48.204
where: short stacking energy: -40.620
Base-Backbone interact. energy: 0.223
local terms energy: -73.650605
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -19.670
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -8.825
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: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -105.085605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.085605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.085605 (E_RNA)
where:
Base-Base interactions energy: -37.444
where: short stacking energy: -34.005
Base-Backbone interact. energy: -0.068
local terms energy: -67.573509
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -102.673003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.673003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.673003 (E_RNA)
where:
Base-Base interactions energy: -40.118
where: short stacking energy: -22.254
Base-Backbone interact. energy: -0.444
local terms energy: -62.111130
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -15.796
tors. eta vs tors. theta energy: 4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -107.227897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.227897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.227897 (E_RNA)
where:
Base-Base interactions energy: -40.250
where: short stacking energy: -30.344
Base-Backbone interact. energy: -0.218
local terms energy: -66.759445
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -224.062471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.062471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.062471 (E_RNA)
where:
Base-Base interactions energy: -118.939
where: short stacking energy: -88.709
Base-Backbone interact. energy: -0.030
local terms energy: -105.093154
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -27.040
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: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -247.072092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.072092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.072092 (E_RNA)
where:
Base-Base interactions energy: -139.574
where: short stacking energy: -85.166
Base-Backbone interact. energy: -0.134
local terms energy: -107.364686
where:
bonds (distance) C4'-P energy: -24.698
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -23.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -197.639379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.639379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.639379 (E_RNA)
where:
Base-Base interactions energy: -103.223
where: short stacking energy: -66.803
Base-Backbone interact. energy: -0.222
local terms energy: -94.194195
where:
bonds (distance) C4'-P energy: -21.700
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -139.468246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.468246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.468246 (E_RNA)
where:
Base-Base interactions energy: -48.621
where: short stacking energy: -48.621
Base-Backbone interact. energy: -0.053
local terms energy: -90.794303
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -24.372
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -11.540
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: 40
Temperature: 1.100000
Total energy: -152.192276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.192276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.192276 (E_RNA)
where:
Base-Base interactions energy: -67.881
where: short stacking energy: -51.154
Base-Backbone interact. energy: -0.088
local terms energy: -84.223370
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -13.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -125.780294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.780294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.780294 (E_RNA)
where:
Base-Base interactions energy: -42.745
where: short stacking energy: -38.468
Base-Backbone interact. energy: -0.544
local terms energy: -82.491112
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -23.112
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -9.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -136.590658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.590658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.590658 (E_RNA)
where:
Base-Base interactions energy: -54.408
where: short stacking energy: -53.934
Base-Backbone interact. energy: 0.025
local terms energy: -82.207475
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -12.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -104.850919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.850919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.850919 (E_RNA)
where:
Base-Base interactions energy: -45.274
where: short stacking energy: -36.838
Base-Backbone interact. energy: 0.565
local terms energy: -60.142223
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -7.510
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: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -120.082185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.082185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.082185 (E_RNA)
where:
Base-Base interactions energy: -42.114
where: short stacking energy: -29.233
Base-Backbone interact. energy: -0.191
local terms energy: -77.776538
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -5.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -88.991417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.991417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.991417 (E_RNA)
where:
Base-Base interactions energy: -34.218
where: short stacking energy: -30.577
Base-Backbone interact. energy: 0.936
local terms energy: -55.710331
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -220.600659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.600659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.600659 (E_RNA)
where:
Base-Base interactions energy: -108.909
where: short stacking energy: -82.774
Base-Backbone interact. energy: -0.021
local terms energy: -111.671406
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -24.889
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: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -230.195109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.195109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.195109 (E_RNA)
where:
Base-Base interactions energy: -134.381
where: short stacking energy: -90.537
Base-Backbone interact. energy: -0.030
local terms energy: -95.784842
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -21.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -193.762495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.762495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.762495 (E_RNA)
where:
Base-Base interactions energy: -105.318
where: short stacking energy: -72.463
Base-Backbone interact. energy: -0.182
local terms energy: -88.263156
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -9.302
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: 4, replica: 8
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -155.450364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.450364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.450364 (E_RNA)
where:
Base-Base interactions energy: -63.632
where: short stacking energy: -63.537
Base-Backbone interact. energy: -0.386
local terms energy: -91.432438
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -134.658362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.658362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.658362 (E_RNA)
where:
Base-Base interactions energy: -50.530
where: short stacking energy: -39.433
Base-Backbone interact. energy: -0.133
local terms energy: -83.995644
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -23.120
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -11.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -119.522585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.522585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.522585 (E_RNA)
where:
Base-Base interactions energy: -43.487
where: short stacking energy: -41.996
Base-Backbone interact. energy: -0.090
local terms energy: -75.945530
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -20.001
flat angles P-C4'-P energy: -8.900
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: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -121.871651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.871651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.871651 (E_RNA)
where:
Base-Base interactions energy: -48.657
where: short stacking energy: -48.657
Base-Backbone interact. energy: 0.574
local terms energy: -73.789536
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -124.962313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.962313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.962313 (E_RNA)
where:
Base-Base interactions energy: -44.454
where: short stacking energy: -44.454
Base-Backbone interact. energy: -0.121
local terms energy: -80.387480
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -9.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -112.004344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.004344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.004344 (E_RNA)
where:
Base-Base interactions energy: -36.977
where: short stacking energy: -36.977
Base-Backbone interact. energy: -0.125
local terms energy: -74.901900
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -96.059376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.059376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.059376 (E_RNA)
where:
Base-Base interactions energy: -35.342
where: short stacking energy: -31.935
Base-Backbone interact. energy: -0.806
local terms energy: -59.911897
where:
bonds (distance) C4'-P energy: -20.489
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -10.979
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: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -220.728464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.728464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.728464 (E_RNA)
where:
Base-Base interactions energy: -119.911
where: short stacking energy: -86.809
Base-Backbone interact. energy: -0.069
local terms energy: -100.748117
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -23.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -225.898486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.898486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.898486 (E_RNA)
where:
Base-Base interactions energy: -123.747
where: short stacking energy: -80.953
Base-Backbone interact. energy: 0.358
local terms energy: -102.509910
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -24.973
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: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -203.515526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.515526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.515526 (E_RNA)
where:
Base-Base interactions energy: -108.481
where: short stacking energy: -70.805
Base-Backbone interact. energy: 0.063
local terms energy: -95.097401
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -19.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -168.095808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.095808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.095808 (E_RNA)
where:
Base-Base interactions energy: -75.491
where: short stacking energy: -74.522
Base-Backbone interact. energy: -0.257
local terms energy: -92.347806
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -123.620235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.620235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.620235 (E_RNA)
where:
Base-Base interactions energy: -39.896
where: short stacking energy: -39.896
Base-Backbone interact. energy: -0.186
local terms energy: -83.538128
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -125.524720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.524720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.524720 (E_RNA)
where:
Base-Base interactions energy: -54.016
where: short stacking energy: -40.664
Base-Backbone interact. energy: 0.315
local terms energy: -71.823205
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -15.178
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: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -133.527678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.527678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.527678 (E_RNA)
where:
Base-Base interactions energy: -62.950
where: short stacking energy: -51.462
Base-Backbone interact. energy: -0.015
local terms energy: -70.563011
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -7.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -102.550296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.550296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.550296 (E_RNA)
where:
Base-Base interactions energy: -37.994
where: short stacking energy: -26.322
Base-Backbone interact. energy: -0.159
local terms energy: -64.397343
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -100.595499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.595499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.595499 (E_RNA)
where:
Base-Base interactions energy: -42.376
where: short stacking energy: -24.066
Base-Backbone interact. energy: -0.231
local terms energy: -57.988750
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: 1.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -98.631004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.631004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.631004 (E_RNA)
where:
Base-Base interactions energy: -30.569
where: short stacking energy: -29.905
Base-Backbone interact. energy: -0.351
local terms energy: -67.711041
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -234.705096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.705096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.705096 (E_RNA)
where:
Base-Base interactions energy: -127.362
where: short stacking energy: -98.066
Base-Backbone interact. energy: -0.074
local terms energy: -107.268910
where:
bonds (distance) C4'-P energy: -23.320
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -27.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -227.436279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.436279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.436279 (E_RNA)
where:
Base-Base interactions energy: -129.266
where: short stacking energy: -85.216
Base-Backbone interact. energy: -0.035
local terms energy: -98.134978
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -22.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -181.272059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.272059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.272059 (E_RNA)
where:
Base-Base interactions energy: -86.051
where: short stacking energy: -60.167
Base-Backbone interact. energy: -0.272
local terms energy: -94.949051
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -23.126
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -179.800100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.800100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.800100 (E_RNA)
where:
Base-Base interactions energy: -87.731
where: short stacking energy: -63.023
Base-Backbone interact. energy: -0.058
local terms energy: -92.010567
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -135.389788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.389788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.389788 (E_RNA)
where:
Base-Base interactions energy: -59.758
where: short stacking energy: -59.079
Base-Backbone interact. energy: 0.548
local terms energy: -76.180074
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -10.115
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: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -114.989282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.989282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.989282 (E_RNA)
where:
Base-Base interactions energy: -53.788
where: short stacking energy: -33.045
Base-Backbone interact. energy: 2.451
local terms energy: -63.653149
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -5.140
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: 7, replica: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -124.120822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.120822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.120822 (E_RNA)
where:
Base-Base interactions energy: -52.509
where: short stacking energy: -44.252
Base-Backbone interact. energy: 0.004
local terms energy: -71.615746
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -0.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -113.599506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.599506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.599506 (E_RNA)
where:
Base-Base interactions energy: -38.956
where: short stacking energy: -37.688
Base-Backbone interact. energy: 2.474
local terms energy: -77.117177
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -13.726
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: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -102.513415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.513415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.513415 (E_RNA)
where:
Base-Base interactions energy: -44.010
where: short stacking energy: -35.639
Base-Backbone interact. energy: -0.257
local terms energy: -58.246122
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -98.422164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.422164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.422164 (E_RNA)
where:
Base-Base interactions energy: -35.458
where: short stacking energy: -33.414
Base-Backbone interact. energy: 0.508
local terms energy: -63.471344
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: 0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -223.048655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.048655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.048655 (E_RNA)
where:
Base-Base interactions energy: -125.414
where: short stacking energy: -92.808
Base-Backbone interact. energy: -0.130
local terms energy: -97.504908
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -22.154
flat angles P-C4'-P energy: -17.079
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: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -240.866951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.866951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.866951 (E_RNA)
where:
Base-Base interactions energy: -138.867
where: short stacking energy: -90.554
Base-Backbone interact. energy: -0.083
local terms energy: -101.917751
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -14.741
tors. eta vs tors. theta energy: -26.214
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: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -186.171730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.171730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.171730 (E_RNA)
where:
Base-Base interactions energy: -94.630
where: short stacking energy: -65.523
Base-Backbone interact. energy: -0.750
local terms energy: -90.791645
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -21.417
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -218.695046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.695046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.695046 (E_RNA)
where:
Base-Base interactions energy: -120.765
where: short stacking energy: -80.335
Base-Backbone interact. energy: -0.307
local terms energy: -97.623467
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -142.150174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.150174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.150174 (E_RNA)
where:
Base-Base interactions energy: -62.642
where: short stacking energy: -48.269
Base-Backbone interact. energy: 0.200
local terms energy: -79.707569
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -132.328960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.328960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.328960 (E_RNA)
where:
Base-Base interactions energy: -57.734
where: short stacking energy: -57.734
Base-Backbone interact. energy: -0.246
local terms energy: -74.348757
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -7.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -138.052981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.052981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.052981 (E_RNA)
where:
Base-Base interactions energy: -61.653
where: short stacking energy: -55.472
Base-Backbone interact. energy: -0.275
local terms energy: -76.124557
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -9.746
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: 8, replica: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -116.319267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.319267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.319267 (E_RNA)
where:
Base-Base interactions energy: -34.531
where: short stacking energy: -34.531
Base-Backbone interact. energy: -0.152
local terms energy: -81.636440
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -25.538
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -6.550
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: 3
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -109.104068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.104068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.104068 (E_RNA)
where:
Base-Base interactions energy: -42.715
where: short stacking energy: -31.284
Base-Backbone interact. energy: -0.260
local terms energy: -66.128942
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -98.564546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.564546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.564546 (E_RNA)
where:
Base-Base interactions energy: -22.497
where: short stacking energy: -19.507
Base-Backbone interact. energy: -0.222
local terms energy: -75.845119
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: 1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -219.151576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.151576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.151576 (E_RNA)
where:
Base-Base interactions energy: -115.855
where: short stacking energy: -83.929
Base-Backbone interact. energy: -0.313
local terms energy: -102.983591
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -23.099
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -16.710
tors. eta vs tors. theta energy: -25.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -245.214159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.214159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.214159 (E_RNA)
where:
Base-Base interactions energy: -149.114
where: short stacking energy: -95.980
Base-Backbone interact. energy: -0.267
local terms energy: -95.833473
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -26.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -195.970070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.970070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.970070 (E_RNA)
where:
Base-Base interactions energy: -102.701
where: short stacking energy: -66.968
Base-Backbone interact. energy: -0.085
local terms energy: -93.184481
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -25.494
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -17.877
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: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -212.368543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.368543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.368543 (E_RNA)
where:
Base-Base interactions energy: -116.833
where: short stacking energy: -71.858
Base-Backbone interact. energy: 0.422
local terms energy: -95.957398
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -142.866619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.866619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.866619 (E_RNA)
where:
Base-Base interactions energy: -53.369
where: short stacking energy: -52.691
Base-Backbone interact. energy: 0.565
local terms energy: -90.062217
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -22.976
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -11.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -123.375365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.375365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.375365 (E_RNA)
where:
Base-Base interactions energy: -60.446
where: short stacking energy: -46.419
Base-Backbone interact. energy: 2.008
local terms energy: -64.936920
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -122.386095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.386095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.386095 (E_RNA)
where:
Base-Base interactions energy: -50.406
where: short stacking energy: -50.406
Base-Backbone interact. energy: -0.227
local terms energy: -71.753308
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -6.334
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: 8, replica: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -108.118669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.118669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.118669 (E_RNA)
where:
Base-Base interactions energy: -39.109
where: short stacking energy: -39.090
Base-Backbone interact. energy: -0.428
local terms energy: -68.580712
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: 0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -105.027367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.027367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.027367 (E_RNA)
where:
Base-Base interactions energy: -39.624
where: short stacking energy: -39.624
Base-Backbone interact. energy: 2.146
local terms energy: -67.549152
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -105.342468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.342468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.342468 (E_RNA)
where:
Base-Base interactions energy: -41.470
where: short stacking energy: -41.470
Base-Backbone interact. energy: -0.184
local terms energy: -63.688045
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -238.309311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.309311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.309311 (E_RNA)
where:
Base-Base interactions energy: -129.501
where: short stacking energy: -84.552
Base-Backbone interact. energy: -2.549
local terms energy: -106.259135
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -26.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -203.531785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.531785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.531785 (E_RNA)
where:
Base-Base interactions energy: -101.242
where: short stacking energy: -73.301
Base-Backbone interact. energy: -0.195
local terms energy: -102.095454
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -25.107
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: 46
Temperature: 1.000000
Total energy: -202.497843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.497843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.497843 (E_RNA)
where:
Base-Base interactions energy: -111.199
where: short stacking energy: -69.160
Base-Backbone interact. energy: -0.572
local terms energy: -90.727134
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -181.562540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.562540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.562540 (E_RNA)
where:
Base-Base interactions energy: -90.531
where: short stacking energy: -58.743
Base-Backbone interact. energy: -0.143
local terms energy: -90.888567
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -134.843959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.843959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.843959 (E_RNA)
where:
Base-Base interactions energy: -59.382
where: short stacking energy: -57.339
Base-Backbone interact. energy: -0.007
local terms energy: -75.454292
where:
bonds (distance) C4'-P energy: -19.227
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -128.668117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.668117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.668117 (E_RNA)
where:
Base-Base interactions energy: -47.592
where: short stacking energy: -42.860
Base-Backbone interact. energy: -0.384
local terms energy: -80.691634
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -120.852121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.852121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.852121 (E_RNA)
where:
Base-Base interactions energy: -42.105
where: short stacking energy: -42.105
Base-Backbone interact. energy: -0.037
local terms energy: -78.710556
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -107.838390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.838390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.838390 (E_RNA)
where:
Base-Base interactions energy: -35.387
where: short stacking energy: -34.860
Base-Backbone interact. energy: -0.067
local terms energy: -72.383757
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -14.365
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: 9, replica: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -97.818667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.818667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.818667 (E_RNA)
where:
Base-Base interactions energy: -30.915
where: short stacking energy: -30.915
Base-Backbone interact. energy: 0.170
local terms energy: -67.074083
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -1.880
tors. eta vs tors. theta energy: -10.763
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: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -92.102918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.102918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.102918 (E_RNA)
where:
Base-Base interactions energy: -36.327
where: short stacking energy: -36.327
Base-Backbone interact. energy: -0.290
local terms energy: -55.485894
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -8.075
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -246.562485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.562485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.562485 (E_RNA)
where:
Base-Base interactions energy: -147.343
where: short stacking energy: -83.977
Base-Backbone interact. energy: -0.082
local terms energy: -99.138163
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -16.190
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: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -215.867939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.867939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.867939 (E_RNA)
where:
Base-Base interactions energy: -118.924
where: short stacking energy: -71.912
Base-Backbone interact. energy: 0.203
local terms energy: -97.146475
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -18.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -202.325382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.325382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.325382 (E_RNA)
where:
Base-Base interactions energy: -105.080
where: short stacking energy: -72.882
Base-Backbone interact. energy: -0.142
local terms energy: -97.103151
where:
bonds (distance) C4'-P energy: -23.597
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -20.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -170.055407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.055407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.055407 (E_RNA)
where:
Base-Base interactions energy: -81.499
where: short stacking energy: -59.104
Base-Backbone interact. energy: 0.024
local terms energy: -88.580363
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -24.661
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -137.019682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.019682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.019682 (E_RNA)
where:
Base-Base interactions energy: -56.654
where: short stacking energy: -50.409
Base-Backbone interact. energy: -0.388
local terms energy: -79.978266
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -11.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -125.559553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.559553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.559553 (E_RNA)
where:
Base-Base interactions energy: -46.861
where: short stacking energy: -42.685
Base-Backbone interact. energy: 0.666
local terms energy: -79.365088
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -26.215
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -2.008
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: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -122.713565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.713565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.713565 (E_RNA)
where:
Base-Base interactions energy: -43.448
where: short stacking energy: -40.301
Base-Backbone interact. energy: -0.380
local terms energy: -78.885369
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -24.994
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -6.809
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: 47
Temperature: 1.250000
Total energy: -122.636166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.636166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.636166 (E_RNA)
where:
Base-Base interactions energy: -44.023
where: short stacking energy: -44.001
Base-Backbone interact. energy: -0.004
local terms energy: -78.608916
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -15.161
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: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -97.816874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.816874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.816874 (E_RNA)
where:
Base-Base interactions energy: -35.063
where: short stacking energy: -17.870
Base-Backbone interact. energy: -0.042
local terms energy: -62.712163
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -104.070048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.070048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.070048 (E_RNA)
where:
Base-Base interactions energy: -39.559
where: short stacking energy: -37.069
Base-Backbone interact. energy: -0.365
local terms energy: -64.145782
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -7.843
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: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -254.700323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.700323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.700323 (E_RNA)
where:
Base-Base interactions energy: -145.792
where: short stacking energy: -79.524
Base-Backbone interact. energy: -0.050
local terms energy: -108.858715
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -17.457
tors. eta vs tors. theta energy: -25.658
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: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -219.533466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.533466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.533466 (E_RNA)
where:
Base-Base interactions energy: -122.107
where: short stacking energy: -75.730
Base-Backbone interact. energy: 0.549
local terms energy: -97.975362
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -19.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -192.388909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.388909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.388909 (E_RNA)
where:
Base-Base interactions energy: -105.450
where: short stacking energy: -67.228
Base-Backbone interact. energy: -0.275
local terms energy: -86.664663
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -19.057
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -187.333902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.333902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.333902 (E_RNA)
where:
Base-Base interactions energy: -97.981
where: short stacking energy: -71.254
Base-Backbone interact. energy: -0.048
local terms energy: -89.303994
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -16.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -147.462044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.462044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.462044 (E_RNA)
where:
Base-Base interactions energy: -69.582
where: short stacking energy: -52.421
Base-Backbone interact. energy: -0.140
local terms energy: -77.740652
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -10.940
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: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -126.774684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.774684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.774684 (E_RNA)
where:
Base-Base interactions energy: -47.367
where: short stacking energy: -41.753
Base-Backbone interact. energy: 0.373
local terms energy: -79.780592
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -10.692
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: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -128.209658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.209658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.209658 (E_RNA)
where:
Base-Base interactions energy: -48.718
where: short stacking energy: -44.760
Base-Backbone interact. energy: -0.166
local terms energy: -79.325761
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -124.301343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.301343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.301343 (E_RNA)
where:
Base-Base interactions energy: -45.513
where: short stacking energy: -45.613
Base-Backbone interact. energy: -0.282
local terms energy: -78.506117
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -13.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -102.668983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.668983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.668983 (E_RNA)
where:
Base-Base interactions energy: -33.828
where: short stacking energy: -33.609
Base-Backbone interact. energy: -0.693
local terms energy: -68.147329
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -10.910
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: 10, replica: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -101.785426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.785426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.785426 (E_RNA)
where:
Base-Base interactions energy: -33.549
where: short stacking energy: -32.917
Base-Backbone interact. energy: -0.098
local terms energy: -68.138020
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -14.552
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: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -243.401612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.401612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.401612 (E_RNA)
where:
Base-Base interactions energy: -136.130
where: short stacking energy: -74.982
Base-Backbone interact. energy: 0.739
local terms energy: -108.011321
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -25.412
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -23.602
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: 2, replica: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -211.477590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.477590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.477590 (E_RNA)
where:
Base-Base interactions energy: -111.299
where: short stacking energy: -69.759
Base-Backbone interact. energy: -0.151
local terms energy: -100.027271
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -16.912
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: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -198.060666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.060666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.060666 (E_RNA)
where:
Base-Base interactions energy: -108.688
where: short stacking energy: -67.975
Base-Backbone interact. energy: -0.152
local terms energy: -89.220536
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -20.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -175.195470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.195470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.195470 (E_RNA)
where:
Base-Base interactions energy: -82.364
where: short stacking energy: -56.486
Base-Backbone interact. energy: -0.017
local terms energy: -92.813971
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -16.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -190.832061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.832061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.832061 (E_RNA)
where:
Base-Base interactions energy: -103.105
where: short stacking energy: -69.869
Base-Backbone interact. energy: -0.360
local terms energy: -87.367182
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -142.150471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.150471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.150471 (E_RNA)
where:
Base-Base interactions energy: -56.456
where: short stacking energy: -56.456
Base-Backbone interact. energy: -0.460
local terms energy: -85.233944
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -10.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -128.070875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.070875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.070875 (E_RNA)
where:
Base-Base interactions energy: -45.425
where: short stacking energy: -42.934
Base-Backbone interact. energy: -0.222
local terms energy: -82.423801
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -8.641
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: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -111.859118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.859118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.859118 (E_RNA)
where:
Base-Base interactions energy: -38.074
where: short stacking energy: -38.074
Base-Backbone interact. energy: 5.065
local terms energy: -78.850431
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -104.134152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.134152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.134152 (E_RNA)
where:
Base-Base interactions energy: -44.596
where: short stacking energy: -44.596
Base-Backbone interact. energy: 1.815
local terms energy: -61.352520
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -4.707
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: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -95.337199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.337199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.337199 (E_RNA)
where:
Base-Base interactions energy: -42.469
where: short stacking energy: -28.935
Base-Backbone interact. energy: -0.319
local terms energy: -52.549032
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: 3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -239.488389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.488389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.488389 (E_RNA)
where:
Base-Base interactions energy: -131.652
where: short stacking energy: -91.288
Base-Backbone interact. energy: -0.527
local terms energy: -107.309717
where:
bonds (distance) C4'-P energy: -21.474
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -18.258
tors. eta vs tors. theta energy: -22.671
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: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -234.720201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.720201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.720201 (E_RNA)
where:
Base-Base interactions energy: -130.412
where: short stacking energy: -89.566
Base-Backbone interact. energy: -0.100
local terms energy: -104.208013
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -28.250
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: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -196.035880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.035880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.035880 (E_RNA)
where:
Base-Base interactions energy: -99.437
where: short stacking energy: -73.390
Base-Backbone interact. energy: -0.292
local terms energy: -96.306139
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -141.919019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.919019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.919019 (E_RNA)
where:
Base-Base interactions energy: -59.475
where: short stacking energy: -43.319
Base-Backbone interact. energy: -0.161
local terms energy: -82.283087
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -13.636
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: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -163.104254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.104254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.104254 (E_RNA)
where:
Base-Base interactions energy: -73.513
where: short stacking energy: -45.941
Base-Backbone interact. energy: -0.503
local terms energy: -89.088178
where:
bonds (distance) C4'-P energy: -24.147
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -10.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -137.097514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.097514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.097514 (E_RNA)
where:
Base-Base interactions energy: -63.504
where: short stacking energy: -42.475
Base-Backbone interact. energy: 0.067
local terms energy: -73.660486
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -130.160458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.160458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.160458 (E_RNA)
where:
Base-Base interactions energy: -52.941
where: short stacking energy: -48.431
Base-Backbone interact. energy: -0.154
local terms energy: -77.065352
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -20.089
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -10.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -111.522327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.522327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.522327 (E_RNA)
where:
Base-Base interactions energy: -35.232
where: short stacking energy: -35.232
Base-Backbone interact. energy: -0.085
local terms energy: -76.205243
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -21.952
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -4.514
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: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -105.738176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.738176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.738176 (E_RNA)
where:
Base-Base interactions energy: -28.369
where: short stacking energy: -22.793
Base-Backbone interact. energy: -0.291
local terms energy: -77.078166
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -90.404627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.404627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.404627 (E_RNA)
where:
Base-Base interactions energy: -33.771
where: short stacking energy: -32.985
Base-Backbone interact. energy: -0.332
local terms energy: -56.301560
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -246.698311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.698311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.698311 (E_RNA)
where:
Base-Base interactions energy: -141.526
where: short stacking energy: -98.042
Base-Backbone interact. energy: -0.413
local terms energy: -104.758926
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -25.710
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -28.136
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: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -213.802304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.802304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.802304 (E_RNA)
where:
Base-Base interactions energy: -114.569
where: short stacking energy: -80.773
Base-Backbone interact. energy: -0.089
local terms energy: -99.144534
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -23.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -233.012211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.012211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.012211 (E_RNA)
where:
Base-Base interactions energy: -131.588
where: short stacking energy: -88.469
Base-Backbone interact. energy: -0.330
local terms energy: -101.094527
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -26.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -177.919716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.919716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.919716 (E_RNA)
where:
Base-Base interactions energy: -88.025
where: short stacking energy: -69.574
Base-Backbone interact. energy: -0.104
local terms energy: -89.789781
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -17.890
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: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -179.678088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.678088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.678088 (E_RNA)
where:
Base-Base interactions energy: -84.929
where: short stacking energy: -68.269
Base-Backbone interact. energy: -0.092
local terms energy: -94.656952
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -17.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -128.862947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.862947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.862947 (E_RNA)
where:
Base-Base interactions energy: -53.805
where: short stacking energy: -51.638
Base-Backbone interact. energy: -0.322
local terms energy: -74.735374
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -123.606654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.606654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.606654 (E_RNA)
where:
Base-Base interactions energy: -52.244
where: short stacking energy: -36.933
Base-Backbone interact. energy: -0.280
local terms energy: -71.083169
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -104.846458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.846458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.846458 (E_RNA)
where:
Base-Base interactions energy: -38.488
where: short stacking energy: -27.072
Base-Backbone interact. energy: 1.200
local terms energy: -67.558445
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -1.464
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: 51
Temperature: 1.300000
Total energy: -99.095073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.095073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.095073 (E_RNA)
where:
Base-Base interactions energy: -27.685
where: short stacking energy: -27.685
Base-Backbone interact. energy: -0.152
local terms energy: -71.258013
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -1.151
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: 10, replica: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -106.493666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.493666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.493666 (E_RNA)
where:
Base-Base interactions energy: -39.517
where: short stacking energy: -37.662
Base-Backbone interact. energy: -0.198
local terms energy: -66.778381
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -3.341
tors. eta vs tors. theta energy: -9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -243.260973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.260973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.260973 (E_RNA)
where:
Base-Base interactions energy: -139.473
where: short stacking energy: -88.046
Base-Backbone interact. energy: -0.026
local terms energy: -103.761787
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -25.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -193.353162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.353162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.353162 (E_RNA)
where:
Base-Base interactions energy: -108.321
where: short stacking energy: -69.461
Base-Backbone interact. energy: -0.204
local terms energy: -84.828580
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -18.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -230.768138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.768138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.768138 (E_RNA)
where:
Base-Base interactions energy: -130.615
where: short stacking energy: -86.789
Base-Backbone interact. energy: -0.003
local terms energy: -100.150130
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -21.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -167.542158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.542158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.542158 (E_RNA)
where:
Base-Base interactions energy: -68.698
where: short stacking energy: -67.220
Base-Backbone interact. energy: -0.083
local terms energy: -98.761178
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -19.896
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: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -163.140003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.140003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.140003 (E_RNA)
where:
Base-Base interactions energy: -82.107
where: short stacking energy: -59.673
Base-Backbone interact. energy: -0.150
local terms energy: -80.883265
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -110.397572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.397572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.397572 (E_RNA)
where:
Base-Base interactions energy: -35.472
where: short stacking energy: -34.955
Base-Backbone interact. energy: -0.253
local terms energy: -74.672395
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -5.815
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: 52
Temperature: 1.200000
Total energy: -121.242142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.242142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.242142 (E_RNA)
where:
Base-Base interactions energy: -54.707
where: short stacking energy: -30.305
Base-Backbone interact. energy: -1.597
local terms energy: -64.938308
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: 3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -108.826855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.826855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.826855 (E_RNA)
where:
Base-Base interactions energy: -43.616
where: short stacking energy: -32.285
Base-Backbone interact. energy: 1.691
local terms energy: -66.901590
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -95.401487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.401487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.401487 (E_RNA)
where:
Base-Base interactions energy: -29.083
where: short stacking energy: -26.292
Base-Backbone interact. energy: 1.238
local terms energy: -67.556469
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -95.354989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.354989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.354989 (E_RNA)
where:
Base-Base interactions energy: -29.970
where: short stacking energy: -29.935
Base-Backbone interact. energy: -0.037
local terms energy: -65.347247
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -259.255316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.255316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.255316 (E_RNA)
where:
Base-Base interactions energy: -149.720
where: short stacking energy: -105.930
Base-Backbone interact. energy: -0.125
local terms energy: -109.410075
where:
bonds (distance) C4'-P energy: -23.977
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -31.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -234.781303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.781303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.781303 (E_RNA)
where:
Base-Base interactions energy: -136.717
where: short stacking energy: -91.363
Base-Backbone interact. energy: -0.235
local terms energy: -97.829435
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -25.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -200.499612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.499612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.499612 (E_RNA)
where:
Base-Base interactions energy: -101.263
where: short stacking energy: -75.026
Base-Backbone interact. energy: -0.151
local terms energy: -99.085739
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -160.144188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.144188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.144188 (E_RNA)
where:
Base-Base interactions energy: -76.719
where: short stacking energy: -53.721
Base-Backbone interact. energy: 0.575
local terms energy: -83.999687
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -140.885880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.885880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.885880 (E_RNA)
where:
Base-Base interactions energy: -55.660
where: short stacking energy: -52.841
Base-Backbone interact. energy: -0.424
local terms energy: -84.802384
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -11.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -130.232295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.232295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.232295 (E_RNA)
where:
Base-Base interactions energy: -52.293
where: short stacking energy: -36.676
Base-Backbone interact. energy: -0.162
local terms energy: -77.777114
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -1.230
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: 9
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -106.549923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.549923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.549923 (E_RNA)
where:
Base-Base interactions energy: -39.715
where: short stacking energy: -34.628
Base-Backbone interact. energy: -0.234
local terms energy: -66.600437
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -1.611
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: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -106.327125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.327125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.327125 (E_RNA)
where:
Base-Base interactions energy: -45.931
where: short stacking energy: -29.490
Base-Backbone interact. energy: -0.351
local terms energy: -60.044605
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: 1.617
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: 9, replica: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -99.112341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.112341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.112341 (E_RNA)
where:
Base-Base interactions energy: -43.689
where: short stacking energy: -37.579
Base-Backbone interact. energy: 0.709
local terms energy: -56.132944
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -3.543
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -100.877631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.877631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.877631 (E_RNA)
where:
Base-Base interactions energy: -33.797
where: short stacking energy: -32.687
Base-Backbone interact. energy: -0.188
local terms energy: -66.892302
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -245.151017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.151017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.151017 (E_RNA)
where:
Base-Base interactions energy: -139.947
where: short stacking energy: -94.639
Base-Backbone interact. energy: -0.635
local terms energy: -104.569025
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -26.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -241.416322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.416322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.416322 (E_RNA)
where:
Base-Base interactions energy: -145.305
where: short stacking energy: -83.126
Base-Backbone interact. energy: -0.116
local terms energy: -95.994890
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -16.316
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: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -192.282894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.282894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.282894 (E_RNA)
where:
Base-Base interactions energy: -101.085
where: short stacking energy: -73.151
Base-Backbone interact. energy: -0.014
local terms energy: -91.183876
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -21.680
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -157.952389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.952389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.952389 (E_RNA)
where:
Base-Base interactions energy: -71.698
where: short stacking energy: -71.698
Base-Backbone interact. energy: -0.126
local terms energy: -86.128203
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -145.264885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.264885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.264885 (E_RNA)
where:
Base-Base interactions energy: -61.508
where: short stacking energy: -54.765
Base-Backbone interact. energy: -0.187
local terms energy: -83.569700
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -22.352
flat angles C4'-P-C4' energy: -20.371
flat angles P-C4'-P energy: -15.554
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: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -112.411199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.411199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.411199 (E_RNA)
where:
Base-Base interactions energy: -44.330
where: short stacking energy: -40.738
Base-Backbone interact. energy: -0.169
local terms energy: -67.912625
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -117.881404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.881404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.881404 (E_RNA)
where:
Base-Base interactions energy: -48.434
where: short stacking energy: -40.483
Base-Backbone interact. energy: -1.117
local terms energy: -68.330622
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -6.136
tors. eta vs tors. theta energy: -8.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -111.009432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.009432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.009432 (E_RNA)
where:
Base-Base interactions energy: -44.337
where: short stacking energy: -34.213
Base-Backbone interact. energy: -0.251
local terms energy: -66.421291
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -104.468567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.468567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.468567 (E_RNA)
where:
Base-Base interactions energy: -27.693
where: short stacking energy: -24.641
Base-Backbone interact. energy: -0.156
local terms energy: -76.619595
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: 0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -98.230960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.230960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.230960 (E_RNA)
where:
Base-Base interactions energy: -43.886
where: short stacking energy: -26.760
Base-Backbone interact. energy: -0.136
local terms energy: -54.209270
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -2.971
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: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -247.443804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.443804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.443804 (E_RNA)
where:
Base-Base interactions energy: -149.164
where: short stacking energy: -88.355
Base-Backbone interact. energy: -0.253
local terms energy: -98.027221
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -21.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -228.236175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.236175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.236175 (E_RNA)
where:
Base-Base interactions energy: -127.734
where: short stacking energy: -84.054
Base-Backbone interact. energy: -1.218
local terms energy: -99.284118
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -24.420
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -203.074327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.074327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.074327 (E_RNA)
where:
Base-Base interactions energy: -104.098
where: short stacking energy: -70.807
Base-Backbone interact. energy: -0.375
local terms energy: -98.601421
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -17.285
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: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -169.327542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.327542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.327542 (E_RNA)
where:
Base-Base interactions energy: -76.711
where: short stacking energy: -75.554
Base-Backbone interact. energy: 0.377
local terms energy: -92.993130
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -24.970
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: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -143.555844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.555844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.555844 (E_RNA)
where:
Base-Base interactions energy: -57.294
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.123
local terms energy: -86.138472
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -14.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -138.776100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.776100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.776100 (E_RNA)
where:
Base-Base interactions energy: -61.098
where: short stacking energy: -45.868
Base-Backbone interact. energy: 0.290
local terms energy: -77.968170
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -14.691
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: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -109.844628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.844628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.844628 (E_RNA)
where:
Base-Base interactions energy: -45.009
where: short stacking energy: -41.524
Base-Backbone interact. energy: -0.078
local terms energy: -64.757565
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -2.881
tors. eta vs tors. theta energy: -7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -102.655006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.655006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.655006 (E_RNA)
where:
Base-Base interactions energy: -39.954
where: short stacking energy: -35.823
Base-Backbone interact. energy: -0.088
local terms energy: -62.612968
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -7.906
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -100.249272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.249272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.249272 (E_RNA)
where:
Base-Base interactions energy: -34.955
where: short stacking energy: -30.143
Base-Backbone interact. energy: -0.338
local terms energy: -64.956416
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: 4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -117.061952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.061952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.061952 (E_RNA)
where:
Base-Base interactions energy: -42.054
where: short stacking energy: -42.054
Base-Backbone interact. energy: -0.052
local terms energy: -74.956335
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -10.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -250.183784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.183784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.183784 (E_RNA)
where:
Base-Base interactions energy: -144.597
where: short stacking energy: -101.020
Base-Backbone interact. energy: -0.008
local terms energy: -105.578554
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -27.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -238.763270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.763270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.763270 (E_RNA)
where:
Base-Base interactions energy: -132.045
where: short stacking energy: -82.947
Base-Backbone interact. energy: -0.000
local terms energy: -106.718143
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -23.184
flat angles C4'-P-C4' energy: -24.305
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -25.757
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: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -169.966424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.966424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.966424 (E_RNA)
where:
Base-Base interactions energy: -83.330
where: short stacking energy: -71.859
Base-Backbone interact. energy: -0.045
local terms energy: -86.591120
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -181.122853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.122853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.122853 (E_RNA)
where:
Base-Base interactions energy: -86.761
where: short stacking energy: -57.289
Base-Backbone interact. energy: 0.893
local terms energy: -95.253904
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -17.609
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: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -150.144984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.144984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.144984 (E_RNA)
where:
Base-Base interactions energy: -73.335
where: short stacking energy: -55.295
Base-Backbone interact. energy: -1.220
local terms energy: -75.590094
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -119.680334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.680334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.680334 (E_RNA)
where:
Base-Base interactions energy: -44.411
where: short stacking energy: -44.411
Base-Backbone interact. energy: -0.117
local terms energy: -75.152711
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -117.898483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.898483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.898483 (E_RNA)
where:
Base-Base interactions energy: -47.258
where: short stacking energy: -37.303
Base-Backbone interact. energy: -0.075
local terms energy: -70.565582
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -109.096191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.096191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.096191 (E_RNA)
where:
Base-Base interactions energy: -33.396
where: short stacking energy: -33.396
Base-Backbone interact. energy: -0.058
local terms energy: -75.641983
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -13.975
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: 9, replica: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -104.191802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.191802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.191802 (E_RNA)
where:
Base-Base interactions energy: -43.019
where: short stacking energy: -43.019
Base-Backbone interact. energy: 1.111
local terms energy: -62.284688
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -12.965
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: 10, replica: 1
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -91.298659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.298659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.298659 (E_RNA)
where:
Base-Base interactions energy: -27.780
where: short stacking energy: -27.638
Base-Backbone interact. energy: -0.005
local terms energy: -63.514207
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -4.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -251.515605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.515605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.515605 (E_RNA)
where:
Base-Base interactions energy: -148.884
where: short stacking energy: -95.121
Base-Backbone interact. energy: -0.011
local terms energy: -102.620855
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -23.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -222.403850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.403850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.403850 (E_RNA)
where:
Base-Base interactions energy: -129.909
where: short stacking energy: -80.910
Base-Backbone interact. energy: -0.117
local terms energy: -92.378563
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -157.003543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.003543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.003543 (E_RNA)
where:
Base-Base interactions energy: -70.667
where: short stacking energy: -57.449
Base-Backbone interact. energy: -0.063
local terms energy: -86.273390
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -25.989
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -11.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -191.776977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.776977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.776977 (E_RNA)
where:
Base-Base interactions energy: -98.135
where: short stacking energy: -71.319
Base-Backbone interact. energy: 2.016
local terms energy: -95.658485
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -20.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -134.471962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.471962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.471962 (E_RNA)
where:
Base-Base interactions energy: -58.446
where: short stacking energy: -53.676
Base-Backbone interact. energy: -1.270
local terms energy: -74.756437
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -137.068664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.068664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.068664 (E_RNA)
where:
Base-Base interactions energy: -50.058
where: short stacking energy: -50.058
Base-Backbone interact. energy: -1.105
local terms energy: -85.905381
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -10.232
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: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -117.586513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.586513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.586513 (E_RNA)
where:
Base-Base interactions energy: -45.136
where: short stacking energy: -45.136
Base-Backbone interact. energy: -0.152
local terms energy: -72.297874
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -8.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -114.468307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.468307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.468307 (E_RNA)
where:
Base-Base interactions energy: -53.173
where: short stacking energy: -45.750
Base-Backbone interact. energy: -0.209
local terms energy: -61.086390
where:
bonds (distance) C4'-P energy: -8.897
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -99.140497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.140497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.140497 (E_RNA)
where:
Base-Base interactions energy: -43.332
where: short stacking energy: -33.576
Base-Backbone interact. energy: -1.055
local terms energy: -54.753984
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -106.564241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.564241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.564241 (E_RNA)
where:
Base-Base interactions energy: -44.396
where: short stacking energy: -44.396
Base-Backbone interact. energy: -0.015
local terms energy: -62.152889
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -8.641
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -9.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -243.441335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.441335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.441335 (E_RNA)
where:
Base-Base interactions energy: -142.834
where: short stacking energy: -82.166
Base-Backbone interact. energy: -0.692
local terms energy: -99.915369
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -21.915
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -239.584962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.584962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.584962 (E_RNA)
where:
Base-Base interactions energy: -134.273
where: short stacking energy: -85.335
Base-Backbone interact. energy: 0.094
local terms energy: -105.405706
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -16.977
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: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -215.782517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.782517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.782517 (E_RNA)
where:
Base-Base interactions energy: -121.322
where: short stacking energy: -87.045
Base-Backbone interact. energy: -0.090
local terms energy: -94.370851
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -21.301
flat angles C4'-P-C4' energy: -22.638
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -24.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -145.732926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.732926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.732926 (E_RNA)
where:
Base-Base interactions energy: -62.003
where: short stacking energy: -62.003
Base-Backbone interact. energy: -0.033
local terms energy: -83.697502
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -18.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -159.921076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.921076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.921076 (E_RNA)
where:
Base-Base interactions energy: -77.196
where: short stacking energy: -50.249
Base-Backbone interact. energy: 0.016
local terms energy: -82.740577
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -14.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -122.318244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.318244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.318244 (E_RNA)
where:
Base-Base interactions energy: -52.377
where: short stacking energy: -40.787
Base-Backbone interact. energy: -0.289
local terms energy: -69.652238
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -22.866
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -119.898472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.898472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.898472 (E_RNA)
where:
Base-Base interactions energy: -49.276
where: short stacking energy: -44.541
Base-Backbone interact. energy: -0.354
local terms energy: -70.268451
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -7.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -132.634090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.634090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.634090 (E_RNA)
where:
Base-Base interactions energy: -60.258
where: short stacking energy: -49.686
Base-Backbone interact. energy: 0.000
local terms energy: -72.376396
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -104.247294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.247294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.247294 (E_RNA)
where:
Base-Base interactions energy: -39.762
where: short stacking energy: -39.762
Base-Backbone interact. energy: -0.442
local terms energy: -64.043941
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -104.279378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.279378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.279378 (E_RNA)
where:
Base-Base interactions energy: -36.600
where: short stacking energy: -21.206
Base-Backbone interact. energy: 0.119
local terms energy: -67.798285
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: 0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -253.211368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.211368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.211368 (E_RNA)
where:
Base-Base interactions energy: -151.579
where: short stacking energy: -99.982
Base-Backbone interact. energy: -0.116
local terms energy: -101.515553
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -16.613
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: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -221.817400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.817400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.817400 (E_RNA)
where:
Base-Base interactions energy: -118.113
where: short stacking energy: -85.050
Base-Backbone interact. energy: 0.518
local terms energy: -104.222131
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -27.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -227.532529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.532529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.532529 (E_RNA)
where:
Base-Base interactions energy: -125.759
where: short stacking energy: -72.209
Base-Backbone interact. energy: -0.015
local terms energy: -101.758353
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -22.236
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -145.226200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.226200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.226200 (E_RNA)
where:
Base-Base interactions energy: -65.549
where: short stacking energy: -52.184
Base-Backbone interact. energy: -0.316
local terms energy: -79.360958
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -8.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -194.614129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.614129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.614129 (E_RNA)
where:
Base-Base interactions energy: -103.968
where: short stacking energy: -69.552
Base-Backbone interact. energy: -0.348
local terms energy: -90.297197
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -137.784325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.784325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.784325 (E_RNA)
where:
Base-Base interactions energy: -74.688
where: short stacking energy: -61.927
Base-Backbone interact. energy: 1.376
local terms energy: -64.471941
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -9.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -111.363058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.363058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.363058 (E_RNA)
where:
Base-Base interactions energy: -42.056
where: short stacking energy: -41.334
Base-Backbone interact. energy: -0.167
local terms energy: -69.139812
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -102.752570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.752570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.752570 (E_RNA)
where:
Base-Base interactions energy: -33.815
where: short stacking energy: -33.443
Base-Backbone interact. energy: -0.302
local terms energy: -68.635614
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -114.517416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.517416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.517416 (E_RNA)
where:
Base-Base interactions energy: -42.233
where: short stacking energy: -42.233
Base-Backbone interact. energy: 2.724
local terms energy: -75.008841
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -5.996
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: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -98.512372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.512372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.512372 (E_RNA)
where:
Base-Base interactions energy: -30.585
where: short stacking energy: -29.857
Base-Backbone interact. energy: -0.248
local terms energy: -67.680003
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -260.464857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.464857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.464857 (E_RNA)
where:
Base-Base interactions energy: -148.706
where: short stacking energy: -97.551
Base-Backbone interact. energy: -0.017
local terms energy: -111.741111
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -33.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -214.941526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.941526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.941526 (E_RNA)
where:
Base-Base interactions energy: -117.352
where: short stacking energy: -89.575
Base-Backbone interact. energy: -0.172
local terms energy: -97.416978
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -23.382
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: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -239.137495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.137495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.137495 (E_RNA)
where:
Base-Base interactions energy: -135.775
where: short stacking energy: -83.635
Base-Backbone interact. energy: -0.018
local terms energy: -103.344020
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -28.984
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: 7
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -123.517829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.517829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.517829 (E_RNA)
where:
Base-Base interactions energy: -54.634
where: short stacking energy: -54.634
Base-Backbone interact. energy: -0.028
local terms energy: -68.855821
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -10.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -182.283242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.283242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.283242 (E_RNA)
where:
Base-Base interactions energy: -97.105
where: short stacking energy: -63.108
Base-Backbone interact. energy: -1.326
local terms energy: -83.852462
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -20.826
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -16.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -128.774978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.774978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.774978 (E_RNA)
where:
Base-Base interactions energy: -46.475
where: short stacking energy: -47.175
Base-Backbone interact. energy: -0.209
local terms energy: -82.091333
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -9.834
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: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -128.754059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.754059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.754059 (E_RNA)
where:
Base-Base interactions energy: -42.423
where: short stacking energy: -41.082
Base-Backbone interact. energy: -0.565
local terms energy: -85.766815
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -99.321620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.321620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.321620 (E_RNA)
where:
Base-Base interactions energy: -29.659
where: short stacking energy: -29.659
Base-Backbone interact. energy: -0.150
local terms energy: -69.512721
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -99.292767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.292767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.292767 (E_RNA)
where:
Base-Base interactions energy: -33.012
where: short stacking energy: -33.012
Base-Backbone interact. energy: -0.086
local terms energy: -66.195010
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -108.831716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.831716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.831716 (E_RNA)
where:
Base-Base interactions energy: -32.600
where: short stacking energy: -32.600
Base-Backbone interact. energy: 0.938
local terms energy: -77.169521
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -250.575811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.575811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.575811 (E_RNA)
where:
Base-Base interactions energy: -138.622
where: short stacking energy: -97.075
Base-Backbone interact. energy: -1.182
local terms energy: -110.771282
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -30.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -222.149123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.149123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.149123 (E_RNA)
where:
Base-Base interactions energy: -124.662
where: short stacking energy: -80.542
Base-Backbone interact. energy: -0.109
local terms energy: -97.378737
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -20.028
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: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -213.798255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.798255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.798255 (E_RNA)
where:
Base-Base interactions energy: -113.223
where: short stacking energy: -77.322
Base-Backbone interact. energy: -0.337
local terms energy: -100.238221
where:
bonds (distance) C4'-P energy: -23.607
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -23.664
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: 4, replica: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -183.289921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.289921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.289921 (E_RNA)
where:
Base-Base interactions energy: -95.676
where: short stacking energy: -69.985
Base-Backbone interact. energy: -0.093
local terms energy: -87.520610
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -13.902
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: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -142.729505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.729505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.729505 (E_RNA)
where:
Base-Base interactions energy: -63.590
where: short stacking energy: -44.760
Base-Backbone interact. energy: -0.475
local terms energy: -78.664450
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -21.906
flat angles C4'-P-C4' energy: -21.781
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -10.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -143.758105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.758105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.758105 (E_RNA)
where:
Base-Base interactions energy: -58.977
where: short stacking energy: -52.162
Base-Backbone interact. energy: 2.557
local terms energy: -87.339036
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -14.022
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: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -106.437687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.437687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.437687 (E_RNA)
where:
Base-Base interactions energy: -46.557
where: short stacking energy: -38.173
Base-Backbone interact. energy: 0.488
local terms energy: -60.368332
where:
bonds (distance) C4'-P energy: -4.401
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -15.287
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: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -107.109264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.109264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.109264 (E_RNA)
where:
Base-Base interactions energy: -36.804
where: short stacking energy: -31.622
Base-Backbone interact. energy: -0.464
local terms energy: -69.840658
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -0.797
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: 61
Temperature: 1.300000
Total energy: -110.975177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.975177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.975177 (E_RNA)
where:
Base-Base interactions energy: -40.686
where: short stacking energy: -40.138
Base-Backbone interact. energy: -0.223
local terms energy: -70.065312
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -107.794753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.794753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.794753 (E_RNA)
where:
Base-Base interactions energy: -38.963
where: short stacking energy: -35.064
Base-Backbone interact. energy: -0.328
local terms energy: -68.504186
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -22.671
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -254.871806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.871806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.871806 (E_RNA)
where:
Base-Base interactions energy: -146.290
where: short stacking energy: -97.625
Base-Backbone interact. energy: -0.002
local terms energy: -108.579637
where:
bonds (distance) C4'-P energy: -21.747
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -28.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -239.405302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.405302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.405302 (E_RNA)
where:
Base-Base interactions energy: -135.391
where: short stacking energy: -85.430
Base-Backbone interact. energy: 0.108
local terms energy: -104.122345
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -24.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -199.650076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.650076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.650076 (E_RNA)
where:
Base-Base interactions energy: -99.715
where: short stacking energy: -72.345
Base-Backbone interact. energy: -0.455
local terms energy: -99.480444
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -174.495173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.495173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.495173 (E_RNA)
where:
Base-Base interactions energy: -86.436
where: short stacking energy: -62.817
Base-Backbone interact. energy: -0.130
local terms energy: -87.929513
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -17.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -144.719364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.719364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.719364 (E_RNA)
where:
Base-Base interactions energy: -60.833
where: short stacking energy: -60.833
Base-Backbone interact. energy: -0.003
local terms energy: -83.883458
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -17.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -134.355516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.355516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.355516 (E_RNA)
where:
Base-Base interactions energy: -44.664
where: short stacking energy: -43.774
Base-Backbone interact. energy: -0.119
local terms energy: -89.571841
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -22.998
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -15.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -123.779525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.779525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.779525 (E_RNA)
where:
Base-Base interactions energy: -49.902
where: short stacking energy: -43.545
Base-Backbone interact. energy: -0.086
local terms energy: -73.790986
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -6.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -107.695072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.695072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.695072 (E_RNA)
where:
Base-Base interactions energy: -43.794
where: short stacking energy: -35.512
Base-Backbone interact. energy: 1.064
local terms energy: -64.964251
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -98.297021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.297021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.297021 (E_RNA)
where:
Base-Base interactions energy: -29.151
where: short stacking energy: -28.826
Base-Backbone interact. energy: -0.208
local terms energy: -68.937932
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -97.632959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.632959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.632959 (E_RNA)
where:
Base-Base interactions energy: -32.621
where: short stacking energy: -24.275
Base-Backbone interact. energy: -0.087
local terms energy: -64.924820
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -25.090
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -1.283
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: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -267.756295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.756295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.756295 (E_RNA)
where:
Base-Base interactions energy: -159.718
where: short stacking energy: -104.889
Base-Backbone interact. energy: -0.074
local terms energy: -107.964784
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -23.063
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -30.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -255.756191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.756191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.756191 (E_RNA)
where:
Base-Base interactions energy: -143.860
where: short stacking energy: -95.941
Base-Backbone interact. energy: -0.006
local terms energy: -111.890146
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -25.601
flat angles P-C4'-P energy: -17.430
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: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -196.951221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.951221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.951221 (E_RNA)
where:
Base-Base interactions energy: -107.812
where: short stacking energy: -80.024
Base-Backbone interact. energy: 1.449
local terms energy: -90.588841
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -21.689
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -136.901743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.901743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.901743 (E_RNA)
where:
Base-Base interactions energy: -51.251
where: short stacking energy: -41.748
Base-Backbone interact. energy: -0.069
local terms energy: -85.581591
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -138.145600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.145600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.145600 (E_RNA)
where:
Base-Base interactions energy: -54.747
where: short stacking energy: -51.190
Base-Backbone interact. energy: -0.384
local terms energy: -83.014472
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -133.993390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.993390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.993390 (E_RNA)
where:
Base-Base interactions energy: -66.125
where: short stacking energy: -53.448
Base-Backbone interact. energy: 0.517
local terms energy: -68.385611
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -121.739588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.739588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.739588 (E_RNA)
where:
Base-Base interactions energy: -43.531
where: short stacking energy: -37.768
Base-Backbone interact. energy: -0.152
local terms energy: -78.056996
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -10.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -102.059768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.059768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.059768 (E_RNA)
where:
Base-Base interactions energy: -34.895
where: short stacking energy: -34.895
Base-Backbone interact. energy: -0.010
local terms energy: -67.154471
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -8.842
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: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -102.803155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.803155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.803155 (E_RNA)
where:
Base-Base interactions energy: -26.730
where: short stacking energy: -26.830
Base-Backbone interact. energy: -0.384
local terms energy: -75.689126
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -105.130561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.130561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.130561 (E_RNA)
where:
Base-Base interactions energy: -39.505
where: short stacking energy: -38.355
Base-Backbone interact. energy: -0.117
local terms energy: -65.508494
where:
bonds (distance) C4'-P energy: -18.114
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -256.816276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.816276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.816276 (E_RNA)
where:
Base-Base interactions energy: -153.945
where: short stacking energy: -99.971
Base-Backbone interact. energy: -0.052
local terms energy: -102.820107
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -19.768
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -31.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -246.883597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.883597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.883597 (E_RNA)
where:
Base-Base interactions energy: -140.262
where: short stacking energy: -98.569
Base-Backbone interact. energy: -0.082
local terms energy: -106.540272
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -30.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -190.557747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.557747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.557747 (E_RNA)
where:
Base-Base interactions energy: -98.614
where: short stacking energy: -66.824
Base-Backbone interact. energy: -0.218
local terms energy: -91.724923
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -23.267
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -17.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -142.222463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.222463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.222463 (E_RNA)
where:
Base-Base interactions energy: -56.741
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.179
local terms energy: -85.302286
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -133.946746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.946746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.946746 (E_RNA)
where:
Base-Base interactions energy: -63.728
where: short stacking energy: -62.304
Base-Backbone interact. energy: 0.232
local terms energy: -70.450941
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -11.993
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: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -116.323522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.323522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.323522 (E_RNA)
where:
Base-Base interactions energy: -41.571
where: short stacking energy: -41.571
Base-Backbone interact. energy: -0.188
local terms energy: -74.565134
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -116.838437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.838437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.838437 (E_RNA)
where:
Base-Base interactions energy: -50.942
where: short stacking energy: -34.519
Base-Backbone interact. energy: 1.423
local terms energy: -67.319494
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -12.575
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: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -125.997735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.997735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.997735 (E_RNA)
where:
Base-Base interactions energy: -48.244
where: short stacking energy: -42.034
Base-Backbone interact. energy: -0.082
local terms energy: -77.672320
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -100.827494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.827494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.827494 (E_RNA)
where:
Base-Base interactions energy: -34.718
where: short stacking energy: -25.398
Base-Backbone interact. energy: -0.833
local terms energy: -65.276846
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -95.315248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.315248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.315248 (E_RNA)
where:
Base-Base interactions energy: -26.989
where: short stacking energy: -26.211
Base-Backbone interact. energy: -1.342
local terms energy: -66.984663
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -13.177
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: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -275.012631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.012631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.012631 (E_RNA)
where:
Base-Base interactions energy: -153.908
where: short stacking energy: -108.185
Base-Backbone interact. energy: -0.001
local terms energy: -121.103530
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -34.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -243.984905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.984905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.984905 (E_RNA)
where:
Base-Base interactions energy: -136.263
where: short stacking energy: -95.100
Base-Backbone interact. energy: -0.013
local terms energy: -107.708046
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -27.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -220.928576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.928576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.928576 (E_RNA)
where:
Base-Base interactions energy: -119.370
where: short stacking energy: -94.533
Base-Backbone interact. energy: -0.013
local terms energy: -101.545315
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -27.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -150.848687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.848687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.848687 (E_RNA)
where:
Base-Base interactions energy: -74.641
where: short stacking energy: -62.484
Base-Backbone interact. energy: 2.176
local terms energy: -78.383650
where:
bonds (distance) C4'-P energy: -21.110
bonds (distance) P-C4' energy: -23.233
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -9.419
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: 65
Temperature: 1.100000
Total energy: -137.485525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.485525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.485525 (E_RNA)
where:
Base-Base interactions energy: -52.454
where: short stacking energy: -43.448
Base-Backbone interact. energy: -0.774
local terms energy: -84.256770
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -11.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -136.731717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.731717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.731717 (E_RNA)
where:
Base-Base interactions energy: -53.557
where: short stacking energy: -53.557
Base-Backbone interact. energy: -0.335
local terms energy: -82.839733
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -131.110896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.110896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.110896 (E_RNA)
where:
Base-Base interactions energy: -65.501
where: short stacking energy: -42.111
Base-Backbone interact. energy: -0.336
local terms energy: -65.273747
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -108.227561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.227561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.227561 (E_RNA)
where:
Base-Base interactions energy: -39.811
where: short stacking energy: -36.669
Base-Backbone interact. energy: -0.464
local terms energy: -67.952467
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -8.536
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -3.933
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: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -109.312455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.312455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.312455 (E_RNA)
where:
Base-Base interactions energy: -39.838
where: short stacking energy: -39.838
Base-Backbone interact. energy: -0.079
local terms energy: -69.395262
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -11.921
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: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -95.075527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.075527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.075527 (E_RNA)
where:
Base-Base interactions energy: -29.502
where: short stacking energy: -29.502
Base-Backbone interact. energy: -0.406
local terms energy: -65.167837
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: 0.217
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: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -264.556243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.556243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.556243 (E_RNA)
where:
Base-Base interactions energy: -151.799
where: short stacking energy: -97.814
Base-Backbone interact. energy: -0.270
local terms energy: -112.486989
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -31.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -230.260711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.260711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.260711 (E_RNA)
where:
Base-Base interactions energy: -127.607
where: short stacking energy: -84.429
Base-Backbone interact. energy: -0.222
local terms energy: -102.430868
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -24.325
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: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -214.043275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.043275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.043275 (E_RNA)
where:
Base-Base interactions energy: -125.337
where: short stacking energy: -69.532
Base-Backbone interact. energy: -0.104
local terms energy: -88.602918
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -167.717460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.717460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.717460 (E_RNA)
where:
Base-Base interactions energy: -82.182
where: short stacking energy: -54.832
Base-Backbone interact. energy: -0.235
local terms energy: -85.300760
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -20.201
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -11.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -156.875741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.875741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.875741 (E_RNA)
where:
Base-Base interactions energy: -74.381
where: short stacking energy: -73.815
Base-Backbone interact. energy: -0.129
local terms energy: -82.364784
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -128.616481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.616481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.616481 (E_RNA)
where:
Base-Base interactions energy: -51.987
where: short stacking energy: -51.987
Base-Backbone interact. energy: -0.167
local terms energy: -76.462524
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -19.866
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -128.264367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.264367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.264367 (E_RNA)
where:
Base-Base interactions energy: -55.136
where: short stacking energy: -55.136
Base-Backbone interact. energy: -0.316
local terms energy: -72.812047
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -16.055
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: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -105.999192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.999192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.999192 (E_RNA)
where:
Base-Base interactions energy: -31.423
where: short stacking energy: -30.402
Base-Backbone interact. energy: -0.202
local terms energy: -74.374076
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: 0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -108.810689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.810689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.810689 (E_RNA)
where:
Base-Base interactions energy: -29.593
where: short stacking energy: -29.593
Base-Backbone interact. energy: -0.228
local terms energy: -78.990438
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -8.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -96.443103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.443103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.443103 (E_RNA)
where:
Base-Base interactions energy: -17.883
where: short stacking energy: -17.883
Base-Backbone interact. energy: 0.328
local terms energy: -78.888654
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -263.959418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.959418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.959418 (E_RNA)
where:
Base-Base interactions energy: -150.812
where: short stacking energy: -104.325
Base-Backbone interact. energy: -0.016
local terms energy: -113.131570
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -31.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -224.645237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.645237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.645237 (E_RNA)
where:
Base-Base interactions energy: -131.504
where: short stacking energy: -77.406
Base-Backbone interact. energy: -0.162
local terms energy: -92.979230
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -18.257
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: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -216.886943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.886943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.886943 (E_RNA)
where:
Base-Base interactions energy: -122.310
where: short stacking energy: -67.464
Base-Backbone interact. energy: -0.152
local terms energy: -94.425459
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -163.176499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.176499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.176499 (E_RNA)
where:
Base-Base interactions energy: -81.231
where: short stacking energy: -63.375
Base-Backbone interact. energy: -0.147
local terms energy: -81.798128
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -12.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -136.951955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.951955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.951955 (E_RNA)
where:
Base-Base interactions energy: -52.234
where: short stacking energy: -52.634
Base-Backbone interact. energy: -0.212
local terms energy: -84.506067
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -11.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -113.546173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.546173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.546173 (E_RNA)
where:
Base-Base interactions energy: -42.426
where: short stacking energy: -42.426
Base-Backbone interact. energy: -0.092
local terms energy: -71.027496
where:
bonds (distance) C4'-P energy: -18.251
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -9.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -107.846486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.846486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.846486 (E_RNA)
where:
Base-Base interactions energy: -34.610
where: short stacking energy: -23.484
Base-Backbone interact. energy: -0.168
local terms energy: -73.069230
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -105.354407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.354407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.354407 (E_RNA)
where:
Base-Base interactions energy: -37.953
where: short stacking energy: -37.198
Base-Backbone interact. energy: -0.295
local terms energy: -67.106424
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -100.252867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.252867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.252867 (E_RNA)
where:
Base-Base interactions energy: -27.382
where: short stacking energy: -27.382
Base-Backbone interact. energy: 2.335
local terms energy: -75.206340
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -7.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -100.508492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.508492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.508492 (E_RNA)
where:
Base-Base interactions energy: -39.997
where: short stacking energy: -32.755
Base-Backbone interact. energy: -1.201
local terms energy: -59.309895
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -237.678493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.678493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.678493 (E_RNA)
where:
Base-Base interactions energy: -139.943
where: short stacking energy: -77.259
Base-Backbone interact. energy: -0.035
local terms energy: -97.701125
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -22.773
flat angles C4'-P-C4' energy: -21.574
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -219.573750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.573750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.573750 (E_RNA)
where:
Base-Base interactions energy: -125.869
where: short stacking energy: -75.731
Base-Backbone interact. energy: -0.226
local terms energy: -93.478954
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -21.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -204.796805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.796805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.796805 (E_RNA)
where:
Base-Base interactions energy: -106.753
where: short stacking energy: -72.413
Base-Backbone interact. energy: -0.042
local terms energy: -98.001665
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -20.816
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: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -178.694893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.694893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.694893 (E_RNA)
where:
Base-Base interactions energy: -92.238
where: short stacking energy: -56.637
Base-Backbone interact. energy: -0.233
local terms energy: -86.223385
where:
bonds (distance) C4'-P energy: -19.811
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -12.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -140.713597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.713597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.713597 (E_RNA)
where:
Base-Base interactions energy: -59.657
where: short stacking energy: -48.066
Base-Backbone interact. energy: -0.168
local terms energy: -80.889150
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -122.224592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.224592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.224592 (E_RNA)
where:
Base-Base interactions energy: -46.436
where: short stacking energy: -46.436
Base-Backbone interact. energy: -0.212
local terms energy: -75.576407
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -2.355
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -121.612880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.612880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.612880 (E_RNA)
where:
Base-Base interactions energy: -49.239
where: short stacking energy: -46.641
Base-Backbone interact. energy: -0.009
local terms energy: -72.364543
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -10.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -105.717944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.717944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.717944 (E_RNA)
where:
Base-Base interactions energy: -42.516
where: short stacking energy: -38.579
Base-Backbone interact. energy: 4.086
local terms energy: -67.288314
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -108.000226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.000226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.000226 (E_RNA)
where:
Base-Base interactions energy: -39.343
where: short stacking energy: -38.224
Base-Backbone interact. energy: -0.189
local terms energy: -68.468697
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -1.110
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: 10, replica: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -105.469859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.469859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.469859 (E_RNA)
where:
Base-Base interactions energy: -40.211
where: short stacking energy: -40.211
Base-Backbone interact. energy: -0.441
local terms energy: -64.817555
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -235.815112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.815112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.815112 (E_RNA)
where:
Base-Base interactions energy: -133.227
where: short stacking energy: -79.919
Base-Backbone interact. energy: -0.666
local terms energy: -101.922357
where:
bonds (distance) C4'-P energy: -23.686
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -19.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -229.923243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.923243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.923243 (E_RNA)
where:
Base-Base interactions energy: -134.510
where: short stacking energy: -79.059
Base-Backbone interact. energy: -0.076
local terms energy: -95.338070
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -24.637
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -214.436895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.436895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.436895 (E_RNA)
where:
Base-Base interactions energy: -120.329
where: short stacking energy: -73.456
Base-Backbone interact. energy: -0.235
local terms energy: -93.872514
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -142.290836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.290836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.290836 (E_RNA)
where:
Base-Base interactions energy: -53.872
where: short stacking energy: -53.872
Base-Backbone interact. energy: -0.191
local terms energy: -88.228133
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -9.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -165.180238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.180238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.180238 (E_RNA)
where:
Base-Base interactions energy: -79.836
where: short stacking energy: -49.416
Base-Backbone interact. energy: 1.642
local terms energy: -86.986753
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -136.217348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.217348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.217348 (E_RNA)
where:
Base-Base interactions energy: -58.613
where: short stacking energy: -48.597
Base-Backbone interact. energy: -0.057
local terms energy: -77.548038
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -19.455
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -116.276293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.276293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.276293 (E_RNA)
where:
Base-Base interactions energy: -44.799
where: short stacking energy: -39.838
Base-Backbone interact. energy: -0.621
local terms energy: -70.856861
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -0.575
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: 69
Temperature: 1.250000
Total energy: -111.202554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.202554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.202554 (E_RNA)
where:
Base-Base interactions energy: -41.434
where: short stacking energy: -40.116
Base-Backbone interact. energy: -0.106
local terms energy: -69.662157
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -99.926866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.926866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.926866 (E_RNA)
where:
Base-Base interactions energy: -35.675
where: short stacking energy: -32.373
Base-Backbone interact. energy: -0.215
local terms energy: -64.036635
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -4.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -106.776801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.776801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.776801 (E_RNA)
where:
Base-Base interactions energy: -32.586
where: short stacking energy: -31.532
Base-Backbone interact. energy: -0.514
local terms energy: -73.676974
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -2.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -221.278979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.278979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.278979 (E_RNA)
where:
Base-Base interactions energy: -123.730
where: short stacking energy: -71.454
Base-Backbone interact. energy: -0.193
local terms energy: -97.356290
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -20.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -232.193416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.193416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.193416 (E_RNA)
where:
Base-Base interactions energy: -144.605
where: short stacking energy: -89.652
Base-Backbone interact. energy: -0.061
local terms energy: -87.527489
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -28.127
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: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -228.413575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.413575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.413575 (E_RNA)
where:
Base-Base interactions energy: -128.956
where: short stacking energy: -88.167
Base-Backbone interact. energy: -0.188
local terms energy: -99.269512
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -26.869
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: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -157.362514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.362514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.362514 (E_RNA)
where:
Base-Base interactions energy: -63.750
where: short stacking energy: -60.489
Base-Backbone interact. energy: -0.002
local terms energy: -93.609668
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -18.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -167.973176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.973176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.973176 (E_RNA)
where:
Base-Base interactions energy: -87.657
where: short stacking energy: -60.494
Base-Backbone interact. energy: -0.203
local terms energy: -80.113483
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -7.515
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: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -134.375730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.375730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.375730 (E_RNA)
where:
Base-Base interactions energy: -56.426
where: short stacking energy: -49.070
Base-Backbone interact. energy: -0.130
local terms energy: -77.820355
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -10.407
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: 7, replica: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -104.511490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.511490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.511490 (E_RNA)
where:
Base-Base interactions energy: -34.207
where: short stacking energy: -31.900
Base-Backbone interact. energy: -0.565
local terms energy: -69.739367
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -114.596421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.596421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.596421 (E_RNA)
where:
Base-Base interactions energy: -45.169
where: short stacking energy: -45.169
Base-Backbone interact. energy: 0.209
local terms energy: -69.635982
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -98.877454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.877454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.877454 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -30.689
Base-Backbone interact. energy: -0.520
local terms energy: -67.768587
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -103.875481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.875481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.875481 (E_RNA)
where:
Base-Base interactions energy: -29.839
where: short stacking energy: -29.839
Base-Backbone interact. energy: -0.301
local terms energy: -73.735718
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -15.795
tors. eta vs tors. theta energy: 0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -229.143911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.143911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.143911 (E_RNA)
where:
Base-Base interactions energy: -134.163
where: short stacking energy: -66.033
Base-Backbone interact. energy: -0.977
local terms energy: -94.003351
where:
bonds (distance) C4'-P energy: -20.803
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -15.611
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: 2, replica: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -245.020655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.020655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.020655 (E_RNA)
where:
Base-Base interactions energy: -146.965
where: short stacking energy: -89.618
Base-Backbone interact. energy: -0.182
local terms energy: -97.873145
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -13.951
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: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -215.182842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.182842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.182842 (E_RNA)
where:
Base-Base interactions energy: -124.777
where: short stacking energy: -83.006
Base-Backbone interact. energy: -0.022
local terms energy: -90.384261
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -145.996681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.996681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.996681 (E_RNA)
where:
Base-Base interactions energy: -61.594
where: short stacking energy: -60.275
Base-Backbone interact. energy: -0.302
local terms energy: -84.100742
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -15.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -144.167940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.167940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.167940 (E_RNA)
where:
Base-Base interactions energy: -55.921
where: short stacking energy: -55.921
Base-Backbone interact. energy: -1.517
local terms energy: -86.729878
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -21.350
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -119.923287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.923287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.923287 (E_RNA)
where:
Base-Base interactions energy: -44.059
where: short stacking energy: -42.756
Base-Backbone interact. energy: 0.236
local terms energy: -76.100320
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -118.112303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.112303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.112303 (E_RNA)
where:
Base-Base interactions energy: -33.930
where: short stacking energy: -33.922
Base-Backbone interact. energy: -0.144
local terms energy: -84.038479
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -20.640
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -109.157216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.157216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.157216 (E_RNA)
where:
Base-Base interactions energy: -45.973
where: short stacking energy: -38.197
Base-Backbone interact. energy: 2.798
local terms energy: -65.982203
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -10.529
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: 9, replica: 3
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -97.616378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.616378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.616378 (E_RNA)
where:
Base-Base interactions energy: -32.603
where: short stacking energy: -32.603
Base-Backbone interact. energy: -0.124
local terms energy: -64.889093
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -9.278
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: 10, replica: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -98.256076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.256076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.256076 (E_RNA)
where:
Base-Base interactions energy: -34.516
where: short stacking energy: -24.572
Base-Backbone interact. energy: -0.682
local terms energy: -63.058302
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -249.789071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.789071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.789071 (E_RNA)
where:
Base-Base interactions energy: -141.065
where: short stacking energy: -92.393
Base-Backbone interact. energy: -0.047
local terms energy: -108.676508
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -13.201
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: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -222.278937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.278937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.278937 (E_RNA)
where:
Base-Base interactions energy: -128.814
where: short stacking energy: -69.639
Base-Backbone interact. energy: -0.419
local terms energy: -93.045476
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -14.813
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: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -228.521801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.521801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.521801 (E_RNA)
where:
Base-Base interactions energy: -128.734
where: short stacking energy: -78.512
Base-Backbone interact. energy: -0.511
local terms energy: -99.276247
where:
bonds (distance) C4'-P energy: -22.884
bonds (distance) P-C4' energy: -23.727
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -153.585624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.585624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.585624 (E_RNA)
where:
Base-Base interactions energy: -71.554
where: short stacking energy: -60.783
Base-Backbone interact. energy: 0.873
local terms energy: -82.904427
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -140.072261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.072261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.072261 (E_RNA)
where:
Base-Base interactions energy: -63.239
where: short stacking energy: -41.524
Base-Backbone interact. energy: -0.478
local terms energy: -76.355205
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -126.330916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.330916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.330916 (E_RNA)
where:
Base-Base interactions energy: -54.611
where: short stacking energy: -44.556
Base-Backbone interact. energy: -0.186
local terms energy: -71.533651
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -22.259
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -5.551
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: 7, replica: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -123.621288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.621288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.621288 (E_RNA)
where:
Base-Base interactions energy: -59.811
where: short stacking energy: -54.760
Base-Backbone interact. energy: 0.203
local terms energy: -64.012596
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -143.878734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.878734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.878734 (E_RNA)
where:
Base-Base interactions energy: -72.830
where: short stacking energy: -41.419
Base-Backbone interact. energy: 0.469
local terms energy: -71.518206
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -108.259221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.259221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.259221 (E_RNA)
where:
Base-Base interactions energy: -37.908
where: short stacking energy: -37.908
Base-Backbone interact. energy: 0.137
local terms energy: -70.488310
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -107.145562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.145562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.145562 (E_RNA)
where:
Base-Base interactions energy: -41.803
where: short stacking energy: -29.279
Base-Backbone interact. energy: -0.112
local terms energy: -65.231023
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -263.724752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.724752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.724752 (E_RNA)
where:
Base-Base interactions energy: -155.420
where: short stacking energy: -99.492
Base-Backbone interact. energy: -0.000
local terms energy: -108.304128
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -21.239
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -30.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -224.205116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.205116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.205116 (E_RNA)
where:
Base-Base interactions energy: -124.812
where: short stacking energy: -76.864
Base-Backbone interact. energy: -0.031
local terms energy: -99.362582
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -194.623708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.623708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.623708 (E_RNA)
where:
Base-Base interactions energy: -106.359
where: short stacking energy: -75.014
Base-Backbone interact. energy: -0.071
local terms energy: -88.194541
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -11.035
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: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -131.424448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.424448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.424448 (E_RNA)
where:
Base-Base interactions energy: -50.485
where: short stacking energy: -41.598
Base-Backbone interact. energy: -0.461
local terms energy: -80.477775
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -24.075
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -148.051655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.051655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.051655 (E_RNA)
where:
Base-Base interactions energy: -64.839
where: short stacking energy: -59.746
Base-Backbone interact. energy: 0.530
local terms energy: -83.742935
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -123.430846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.430846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.430846 (E_RNA)
where:
Base-Base interactions energy: -44.885
where: short stacking energy: -44.841
Base-Backbone interact. energy: -0.817
local terms energy: -77.728287
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -120.457055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.457055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.457055 (E_RNA)
where:
Base-Base interactions energy: -47.296
where: short stacking energy: -47.296
Base-Backbone interact. energy: 0.104
local terms energy: -73.264263
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -14.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -122.460433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.460433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.460433 (E_RNA)
where:
Base-Base interactions energy: -59.199
where: short stacking energy: -26.228
Base-Backbone interact. energy: -0.295
local terms energy: -62.966869
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -103.875837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.875837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.875837 (E_RNA)
where:
Base-Base interactions energy: -35.023
where: short stacking energy: -35.023
Base-Backbone interact. energy: 0.798
local terms energy: -69.650884
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -19.459
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: -1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -89.470056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.470056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.470056 (E_RNA)
where:
Base-Base interactions energy: -27.648
where: short stacking energy: -17.882
Base-Backbone interact. energy: 0.317
local terms energy: -62.138450
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: 1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -271.601759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.601759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.601759 (E_RNA)
where:
Base-Base interactions energy: -159.506
where: short stacking energy: -108.714
Base-Backbone interact. energy: -0.605
local terms energy: -111.490905
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -32.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -214.606246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.606246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.606246 (E_RNA)
where:
Base-Base interactions energy: -125.275
where: short stacking energy: -67.097
Base-Backbone interact. energy: -0.066
local terms energy: -89.264372
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -225.667319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.667319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.667319 (E_RNA)
where:
Base-Base interactions energy: -126.874
where: short stacking energy: -81.655
Base-Backbone interact. energy: -0.482
local terms energy: -98.311666
where:
bonds (distance) C4'-P energy: -20.929
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -15.109
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -154.180772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.180772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.180772 (E_RNA)
where:
Base-Base interactions energy: -61.941
where: short stacking energy: -54.767
Base-Backbone interact. energy: -0.200
local terms energy: -92.040654
where:
bonds (distance) C4'-P energy: -22.199
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -137.793511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.793511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.793511 (E_RNA)
where:
Base-Base interactions energy: -57.803
where: short stacking energy: -58.003
Base-Backbone interact. energy: 0.453
local terms energy: -80.443282
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -11.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -129.469201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.469201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.469201 (E_RNA)
where:
Base-Base interactions energy: -57.494
where: short stacking energy: -57.494
Base-Backbone interact. energy: 0.189
local terms energy: -72.164787
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -119.315860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.315860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.315860 (E_RNA)
where:
Base-Base interactions energy: -46.215
where: short stacking energy: -43.087
Base-Backbone interact. energy: -0.265
local terms energy: -72.835449
where:
bonds (distance) C4'-P energy: -21.509
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -10.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -98.592475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.592475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.592475 (E_RNA)
where:
Base-Base interactions energy: -44.462
where: short stacking energy: -37.594
Base-Backbone interact. energy: 1.330
local terms energy: -55.460402
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -12.275
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: 9, replica: 1
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -116.184435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.184435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.184435 (E_RNA)
where:
Base-Base interactions energy: -47.053
where: short stacking energy: -43.624
Base-Backbone interact. energy: 1.958
local terms energy: -71.089673
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -89.925792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.925792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.925792 (E_RNA)
where:
Base-Base interactions energy: -30.827
where: short stacking energy: -30.329
Base-Backbone interact. energy: -0.314
local terms energy: -58.784377
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -247.601276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.601276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.601276 (E_RNA)
where:
Base-Base interactions energy: -137.615
where: short stacking energy: -92.865
Base-Backbone interact. energy: 0.437
local terms energy: -110.423314
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -30.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -229.936389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.936389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.936389 (E_RNA)
where:
Base-Base interactions energy: -129.353
where: short stacking energy: -84.821
Base-Backbone interact. energy: -0.254
local terms energy: -100.329149
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -18.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -225.556800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.556800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.556800 (E_RNA)
where:
Base-Base interactions energy: -131.660
where: short stacking energy: -82.046
Base-Backbone interact. energy: -0.031
local terms energy: -93.865427
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -22.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -183.970042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.970042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.970042 (E_RNA)
where:
Base-Base interactions energy: -101.388
where: short stacking energy: -58.698
Base-Backbone interact. energy: -0.418
local terms energy: -82.164028
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -15.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -135.440523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.440523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.440523 (E_RNA)
where:
Base-Base interactions energy: -58.604
where: short stacking energy: -42.547
Base-Backbone interact. energy: 0.046
local terms energy: -76.882696
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -138.120483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.120483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.120483 (E_RNA)
where:
Base-Base interactions energy: -53.501
where: short stacking energy: -44.250
Base-Backbone interact. energy: -0.237
local terms energy: -84.382997
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -139.867171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.867171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.867171 (E_RNA)
where:
Base-Base interactions energy: -71.473
where: short stacking energy: -48.731
Base-Backbone interact. energy: -0.644
local terms energy: -67.750574
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -8.645
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: 1
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -107.765388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.765388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.765388 (E_RNA)
where:
Base-Base interactions energy: -38.252
where: short stacking energy: -35.144
Base-Backbone interact. energy: 2.513
local terms energy: -72.027292
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -0.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -107.931243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.931243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.931243 (E_RNA)
where:
Base-Base interactions energy: -42.567
where: short stacking energy: -29.377
Base-Backbone interact. energy: -0.313
local terms energy: -65.051195
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -99.156384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.156384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.156384 (E_RNA)
where:
Base-Base interactions energy: -29.200
where: short stacking energy: -24.387
Base-Backbone interact. energy: -0.198
local terms energy: -69.758215
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -208.333283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.333283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.333283 (E_RNA)
where:
Base-Base interactions energy: -117.919
where: short stacking energy: -74.147
Base-Backbone interact. energy: -0.511
local terms energy: -89.903467
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -21.065
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -21.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -218.946899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.946899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.946899 (E_RNA)
where:
Base-Base interactions energy: -122.114
where: short stacking energy: -77.689
Base-Backbone interact. energy: -0.175
local terms energy: -96.658071
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -21.316
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: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -220.434186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.434186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.434186 (E_RNA)
where:
Base-Base interactions energy: -127.847
where: short stacking energy: -81.183
Base-Backbone interact. energy: -0.537
local terms energy: -92.049213
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -214.666594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.666594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.666594 (E_RNA)
where:
Base-Base interactions energy: -124.407
where: short stacking energy: -79.433
Base-Backbone interact. energy: -0.051
local terms energy: -90.208459
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -19.283
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: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -126.975571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.975571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.975571 (E_RNA)
where:
Base-Base interactions energy: -56.329
where: short stacking energy: -55.008
Base-Backbone interact. energy: -0.307
local terms energy: -70.339578
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -130.984054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.984054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.984054 (E_RNA)
where:
Base-Base interactions energy: -51.422
where: short stacking energy: -40.053
Base-Backbone interact. energy: -0.141
local terms energy: -79.420588
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -23.364
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -7.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -121.299122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.299122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.299122 (E_RNA)
where:
Base-Base interactions energy: -49.208
where: short stacking energy: -48.717
Base-Backbone interact. energy: -0.134
local terms energy: -71.957687
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -7.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -104.346455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.346455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.346455 (E_RNA)
where:
Base-Base interactions energy: -48.173
where: short stacking energy: -41.235
Base-Backbone interact. energy: 3.906
local terms energy: -60.079645
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -116.782197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.782197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.782197 (E_RNA)
where:
Base-Base interactions energy: -39.891
where: short stacking energy: -39.645
Base-Backbone interact. energy: -0.393
local terms energy: -76.497915
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -11.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -89.001212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.001212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.001212 (E_RNA)
where:
Base-Base interactions energy: -24.157
where: short stacking energy: -24.157
Base-Backbone interact. energy: 0.373
local terms energy: -65.217561
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -11.210
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: 77
Temperature: 0.900000
Total energy: -212.014357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.014357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.014357 (E_RNA)
where:
Base-Base interactions energy: -107.043
where: short stacking energy: -75.810
Base-Backbone interact. energy: -0.053
local terms energy: -104.918329
where:
bonds (distance) C4'-P energy: -23.597
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -21.714
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: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -250.948056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.948056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.948056 (E_RNA)
where:
Base-Base interactions energy: -145.018
where: short stacking energy: -93.933
Base-Backbone interact. energy: -0.469
local terms energy: -105.461280
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -15.557
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: 3, replica: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -164.480525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.480525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.480525 (E_RNA)
where:
Base-Base interactions energy: -82.106
where: short stacking energy: -65.432
Base-Backbone interact. energy: -0.292
local terms energy: -82.082302
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -209.196393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.196393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.196393 (E_RNA)
where:
Base-Base interactions energy: -111.914
where: short stacking energy: -71.737
Base-Backbone interact. energy: -0.037
local terms energy: -97.246070
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -20.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -133.848456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.848456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.848456 (E_RNA)
where:
Base-Base interactions energy: -53.545
where: short stacking energy: -47.372
Base-Backbone interact. energy: -0.367
local terms energy: -79.935605
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -7.309
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: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -135.791824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.791824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.791824 (E_RNA)
where:
Base-Base interactions energy: -60.056
where: short stacking energy: -48.935
Base-Backbone interact. energy: 2.495
local terms energy: -78.230815
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -11.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -123.724325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.724325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.724325 (E_RNA)
where:
Base-Base interactions energy: -47.543
where: short stacking energy: -44.420
Base-Backbone interact. energy: -0.126
local terms energy: -76.055275
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -24.182
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -10.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -120.065417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.065417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.065417 (E_RNA)
where:
Base-Base interactions energy: -45.692
where: short stacking energy: -37.262
Base-Backbone interact. energy: -0.378
local terms energy: -73.995778
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -15.257
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: 77
Temperature: 1.300000
Total energy: -117.688409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.688409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.688409 (E_RNA)
where:
Base-Base interactions energy: -47.155
where: short stacking energy: -36.000
Base-Backbone interact. energy: 1.728
local terms energy: -72.260888
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -99.526135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.526135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.526135 (E_RNA)
where:
Base-Base interactions energy: -46.276
where: short stacking energy: -33.627
Base-Backbone interact. energy: -0.333
local terms energy: -52.917112
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -258.700300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.700300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.700300 (E_RNA)
where:
Base-Base interactions energy: -150.628
where: short stacking energy: -100.740
Base-Backbone interact. energy: 0.215
local terms energy: -108.287269
where:
bonds (distance) C4'-P energy: -22.737
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -20.856
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -31.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -214.814796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.814796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.814796 (E_RNA)
where:
Base-Base interactions energy: -120.432
where: short stacking energy: -78.312
Base-Backbone interact. energy: -0.006
local terms energy: -94.376795
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -200.569076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.569076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.569076 (E_RNA)
where:
Base-Base interactions energy: -108.903
where: short stacking energy: -62.865
Base-Backbone interact. energy: 0.571
local terms energy: -92.237379
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -10.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -177.451879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.451879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.451879 (E_RNA)
where:
Base-Base interactions energy: -87.964
where: short stacking energy: -83.835
Base-Backbone interact. energy: -0.192
local terms energy: -89.296151
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -9.724
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: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -149.013324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.013324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.013324 (E_RNA)
where:
Base-Base interactions energy: -68.605
where: short stacking energy: -50.176
Base-Backbone interact. energy: -0.421
local terms energy: -79.987934
where:
bonds (distance) C4'-P energy: -18.670
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -138.615840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.615840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.615840 (E_RNA)
where:
Base-Base interactions energy: -60.187
where: short stacking energy: -43.483
Base-Backbone interact. energy: -0.165
local terms energy: -78.262949
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -15.644
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: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -120.441190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.441190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.441190 (E_RNA)
where:
Base-Base interactions energy: -38.569
where: short stacking energy: -38.569
Base-Backbone interact. energy: -0.115
local terms energy: -81.757789
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -23.315
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -107.527656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.527656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.527656 (E_RNA)
where:
Base-Base interactions energy: -35.862
where: short stacking energy: -30.682
Base-Backbone interact. energy: 1.434
local terms energy: -73.099309
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -22.726
flat angles P-C4'-P energy: -13.313
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: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -99.805144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.805144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.805144 (E_RNA)
where:
Base-Base interactions energy: -37.614
where: short stacking energy: -37.614
Base-Backbone interact. energy: -0.173
local terms energy: -62.018509
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -1.776
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: 10, replica: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -99.572977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.572977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.572977 (E_RNA)
where:
Base-Base interactions energy: -33.683
where: short stacking energy: -32.455
Base-Backbone interact. energy: -0.142
local terms energy: -65.747332
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -242.774402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.774402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.774402 (E_RNA)
where:
Base-Base interactions energy: -142.305
where: short stacking energy: -96.802
Base-Backbone interact. energy: -0.354
local terms energy: -100.115129
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -20.959
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -23.041
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: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -215.441479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.441479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.441479 (E_RNA)
where:
Base-Base interactions energy: -122.758
where: short stacking energy: -76.776
Base-Backbone interact. energy: 1.394
local terms energy: -94.077283
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -20.326
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -199.318297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.318297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.318297 (E_RNA)
where:
Base-Base interactions energy: -102.163
where: short stacking energy: -47.116
Base-Backbone interact. energy: -0.377
local terms energy: -96.778631
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -22.343
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -16.470
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: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -155.172298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.172298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.172298 (E_RNA)
where:
Base-Base interactions energy: -72.925
where: short stacking energy: -47.079
Base-Backbone interact. energy: -0.128
local terms energy: -82.118973
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -21.055
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -10.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -147.147098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.147098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.147098 (E_RNA)
where:
Base-Base interactions energy: -68.402
where: short stacking energy: -56.174
Base-Backbone interact. energy: -0.188
local terms energy: -78.557593
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -9.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -118.849754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.849754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.849754 (E_RNA)
where:
Base-Base interactions energy: -38.586
where: short stacking energy: -38.480
Base-Backbone interact. energy: 1.134
local terms energy: -81.398601
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -118.980348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.980348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.980348 (E_RNA)
where:
Base-Base interactions energy: -42.584
where: short stacking energy: -38.919
Base-Backbone interact. energy: -0.331
local terms energy: -76.065436
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -2.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -114.634763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.634763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.634763 (E_RNA)
where:
Base-Base interactions energy: -37.444
where: short stacking energy: -37.444
Base-Backbone interact. energy: -0.206
local terms energy: -76.984994
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -9.999
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: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -98.531641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.531641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.531641 (E_RNA)
where:
Base-Base interactions energy: -36.163
where: short stacking energy: -36.163
Base-Backbone interact. energy: -0.213
local terms energy: -62.155324
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -120.018233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.018233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.018233 (E_RNA)
where:
Base-Base interactions energy: -36.145
where: short stacking energy: -36.145
Base-Backbone interact. energy: -0.076
local terms energy: -83.796763
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -7.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -217.162125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.162125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.162125 (E_RNA)
where:
Base-Base interactions energy: -122.606
where: short stacking energy: -84.516
Base-Backbone interact. energy: -0.134
local terms energy: -94.421647
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -239.676252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.676252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.676252 (E_RNA)
where:
Base-Base interactions energy: -137.539
where: short stacking energy: -85.532
Base-Backbone interact. energy: -0.016
local terms energy: -102.121115
where:
bonds (distance) C4'-P energy: -21.865
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -27.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -178.343206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.343206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.343206 (E_RNA)
where:
Base-Base interactions energy: -80.651
where: short stacking energy: -64.655
Base-Backbone interact. energy: 0.009
local terms energy: -97.701488
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -16.452
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: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -187.091293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.091293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.091293 (E_RNA)
where:
Base-Base interactions energy: -107.247
where: short stacking energy: -54.821
Base-Backbone interact. energy: 0.420
local terms energy: -80.264223
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -15.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -131.579539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.579539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.579539 (E_RNA)
where:
Base-Base interactions energy: -45.702
where: short stacking energy: -45.702
Base-Backbone interact. energy: -0.144
local terms energy: -85.733670
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -121.342376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.342376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.342376 (E_RNA)
where:
Base-Base interactions energy: -49.537
where: short stacking energy: -44.629
Base-Backbone interact. energy: -0.793
local terms energy: -71.012858
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -8.266
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: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -120.577087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.577087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.577087 (E_RNA)
where:
Base-Base interactions energy: -46.992
where: short stacking energy: -42.805
Base-Backbone interact. energy: -0.382
local terms energy: -73.202957
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -122.516122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.516122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.516122 (E_RNA)
where:
Base-Base interactions energy: -47.915
where: short stacking energy: -34.521
Base-Backbone interact. energy: 0.642
local terms energy: -75.243062
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -4.942
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: 80
Temperature: 1.300000
Total energy: -116.034022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.034022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.034022 (E_RNA)
where:
Base-Base interactions energy: -41.496
where: short stacking energy: -34.967
Base-Backbone interact. energy: -0.030
local terms energy: -74.508069
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -10.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -93.202924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.202924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.202924 (E_RNA)
where:
Base-Base interactions energy: -33.916
where: short stacking energy: -30.832
Base-Backbone interact. energy: -0.525
local terms energy: -58.761517
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: 4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -231.081589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.081589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.081589 (E_RNA)
where:
Base-Base interactions energy: -125.396
where: short stacking energy: -80.461
Base-Backbone interact. energy: -0.030
local terms energy: -105.655831
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -22.348
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -23.803
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: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -255.146424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.146424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.146424 (E_RNA)
where:
Base-Base interactions energy: -145.715
where: short stacking energy: -92.356
Base-Backbone interact. energy: -0.131
local terms energy: -109.300955
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -24.330
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -26.398
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: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -150.529778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.529778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.529778 (E_RNA)
where:
Base-Base interactions energy: -62.048
where: short stacking energy: -56.443
Base-Backbone interact. energy: -0.229
local terms energy: -88.253329
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -25.710
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -171.000384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.000384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.000384 (E_RNA)
where:
Base-Base interactions energy: -85.744
where: short stacking energy: -61.670
Base-Backbone interact. energy: -0.087
local terms energy: -85.169555
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -22.336
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -7.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -126.511500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.511500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.511500 (E_RNA)
where:
Base-Base interactions energy: -47.729
where: short stacking energy: -47.657
Base-Backbone interact. energy: -0.336
local terms energy: -78.447227
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -24.243
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -13.256
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: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -124.284891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.284891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.284891 (E_RNA)
where:
Base-Base interactions energy: -63.843
where: short stacking energy: -31.951
Base-Backbone interact. energy: -1.159
local terms energy: -59.283527
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: 1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -124.383923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.383923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.383923 (E_RNA)
where:
Base-Base interactions energy: -56.129
where: short stacking energy: -42.233
Base-Backbone interact. energy: -0.534
local terms energy: -67.721166
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -112.972711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.972711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.972711 (E_RNA)
where:
Base-Base interactions energy: -42.955
where: short stacking energy: -38.732
Base-Backbone interact. energy: -0.306
local terms energy: -69.711738
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -1.141
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: 5
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -101.244263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.244263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.244263 (E_RNA)
where:
Base-Base interactions energy: -39.560
where: short stacking energy: -30.646
Base-Backbone interact. energy: -0.271
local terms energy: -61.413726
where:
bonds (distance) C4'-P energy: -24.705
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -10.027
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: 10, replica: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -96.801065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.801065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.801065 (E_RNA)
where:
Base-Base interactions energy: -25.257
where: short stacking energy: -24.248
Base-Backbone interact. energy: -0.073
local terms energy: -71.471435
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -250.973372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.973372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.973372 (E_RNA)
where:
Base-Base interactions energy: -140.536
where: short stacking energy: -91.149
Base-Backbone interact. energy: 0.301
local terms energy: -110.738622
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -29.573
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: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -257.238738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.238738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.238738 (E_RNA)
where:
Base-Base interactions energy: -153.419
where: short stacking energy: -98.583
Base-Backbone interact. energy: 0.015
local terms energy: -103.834621
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -23.715
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -28.321
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: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -195.662260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.662260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.662260 (E_RNA)
where:
Base-Base interactions energy: -101.751
where: short stacking energy: -70.755
Base-Backbone interact. energy: -0.258
local terms energy: -93.653045
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -143.474537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.474537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.474537 (E_RNA)
where:
Base-Base interactions energy: -59.061
where: short stacking energy: -58.978
Base-Backbone interact. energy: -0.162
local terms energy: -84.251983
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -128.850632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.850632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.850632 (E_RNA)
where:
Base-Base interactions energy: -56.160
where: short stacking energy: -38.953
Base-Backbone interact. energy: -0.166
local terms energy: -72.524126
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -10.144
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: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -130.945683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.945683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.945683 (E_RNA)
where:
Base-Base interactions energy: -54.086
where: short stacking energy: -54.192
Base-Backbone interact. energy: -0.287
local terms energy: -76.572679
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -10.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -121.643034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.643034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.643034 (E_RNA)
where:
Base-Base interactions energy: -52.479
where: short stacking energy: -41.539
Base-Backbone interact. energy: -0.135
local terms energy: -69.028651
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -103.596086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.596086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.596086 (E_RNA)
where:
Base-Base interactions energy: -33.951
where: short stacking energy: -31.194
Base-Backbone interact. energy: -0.315
local terms energy: -69.330151
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -116.603084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.603084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.603084 (E_RNA)
where:
Base-Base interactions energy: -47.629
where: short stacking energy: -35.371
Base-Backbone interact. energy: -0.199
local terms energy: -68.774968
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -92.340802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.340802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.340802 (E_RNA)
where:
Base-Base interactions energy: -30.406
where: short stacking energy: -30.406
Base-Backbone interact. energy: -0.236
local terms energy: -61.698747
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -245.133238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.133238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.133238 (E_RNA)
where:
Base-Base interactions energy: -135.676
where: short stacking energy: -83.063
Base-Backbone interact. energy: -0.423
local terms energy: -109.034280
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -25.380
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -22.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -231.880205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.880205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.880205 (E_RNA)
where:
Base-Base interactions energy: -134.109
where: short stacking energy: -85.898
Base-Backbone interact. energy: -0.046
local terms energy: -97.725026
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -23.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -195.465381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.465381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.465381 (E_RNA)
where:
Base-Base interactions energy: -107.353
where: short stacking energy: -73.858
Base-Backbone interact. energy: -0.597
local terms energy: -87.515629
where:
bonds (distance) C4'-P energy: -23.181
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -16.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -146.450421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.450421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.450421 (E_RNA)
where:
Base-Base interactions energy: -62.074
where: short stacking energy: -60.187
Base-Backbone interact. energy: 0.074
local terms energy: -84.451259
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -21.971
flat angles P-C4'-P energy: -14.840
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: 5, replica: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -127.859749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.859749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.859749 (E_RNA)
where:
Base-Base interactions energy: -43.919
where: short stacking energy: -35.979
Base-Backbone interact. energy: -0.182
local terms energy: -83.758806
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -11.295
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: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -134.741245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.741245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.741245 (E_RNA)
where:
Base-Base interactions energy: -55.993
where: short stacking energy: -54.209
Base-Backbone interact. energy: 0.784
local terms energy: -79.532416
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -10.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -119.119724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.119724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.119724 (E_RNA)
where:
Base-Base interactions energy: -57.421
where: short stacking energy: -47.184
Base-Backbone interact. energy: -0.127
local terms energy: -61.571813
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -109.839838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.839838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.839838 (E_RNA)
where:
Base-Base interactions energy: -35.249
where: short stacking energy: -19.604
Base-Backbone interact. energy: -0.233
local terms energy: -74.357538
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -106.644240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.644240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.644240 (E_RNA)
where:
Base-Base interactions energy: -31.865
where: short stacking energy: -31.865
Base-Backbone interact. energy: -0.103
local terms energy: -74.675868
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -5.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -107.789403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.789403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.789403 (E_RNA)
where:
Base-Base interactions energy: -46.531
where: short stacking energy: -46.531
Base-Backbone interact. energy: -0.151
local terms energy: -61.107128
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -10.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -251.622869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.622869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.622869 (E_RNA)
where:
Base-Base interactions energy: -156.303
where: short stacking energy: -83.979
Base-Backbone interact. energy: -0.257
local terms energy: -95.062913
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -223.159525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.159525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.159525 (E_RNA)
where:
Base-Base interactions energy: -131.993
where: short stacking energy: -77.956
Base-Backbone interact. energy: -0.482
local terms energy: -90.684843
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -178.621567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.621567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.621567 (E_RNA)
where:
Base-Base interactions energy: -86.064
where: short stacking energy: -62.944
Base-Backbone interact. energy: -0.168
local terms energy: -92.390085
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -20.952
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: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -186.487799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.487799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.487799 (E_RNA)
where:
Base-Base interactions energy: -85.857
where: short stacking energy: -85.857
Base-Backbone interact. energy: -0.008
local terms energy: -100.622497
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -139.497887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.497887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.497887 (E_RNA)
where:
Base-Base interactions energy: -67.298
where: short stacking energy: -49.172
Base-Backbone interact. energy: -0.113
local terms energy: -72.086574
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -12.864
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: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -123.331318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.331318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.331318 (E_RNA)
where:
Base-Base interactions energy: -48.461
where: short stacking energy: -32.454
Base-Backbone interact. energy: -0.095
local terms energy: -74.775381
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -123.289078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.289078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.289078 (E_RNA)
where:
Base-Base interactions energy: -45.732
where: short stacking energy: -45.732
Base-Backbone interact. energy: -0.499
local terms energy: -77.058279
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -10.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -128.543929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.543929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.543929 (E_RNA)
where:
Base-Base interactions energy: -55.060
where: short stacking energy: -40.311
Base-Backbone interact. energy: 0.376
local terms energy: -73.859220
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -112.546684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.546684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.546684 (E_RNA)
where:
Base-Base interactions energy: -40.242
where: short stacking energy: -39.740
Base-Backbone interact. energy: -0.658
local terms energy: -71.647046
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -102.724657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.724657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.724657 (E_RNA)
where:
Base-Base interactions energy: -35.520
where: short stacking energy: -22.966
Base-Backbone interact. energy: -0.159
local terms energy: -67.045740
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -6.958
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: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -250.752285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.752285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.752285 (E_RNA)
where:
Base-Base interactions energy: -141.684
where: short stacking energy: -79.199
Base-Backbone interact. energy: -0.126
local terms energy: -108.941988
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -15.000
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: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -228.530224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.530224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.530224 (E_RNA)
where:
Base-Base interactions energy: -137.770
where: short stacking energy: -82.208
Base-Backbone interact. energy: -0.560
local terms energy: -90.200646
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -17.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -172.413664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.413664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.413664 (E_RNA)
where:
Base-Base interactions energy: -75.947
where: short stacking energy: -75.947
Base-Backbone interact. energy: 0.515
local terms energy: -96.981601
where:
bonds (distance) C4'-P energy: -22.951
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -16.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -149.284957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.284957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.284957 (E_RNA)
where:
Base-Base interactions energy: -74.675
where: short stacking energy: -68.384
Base-Backbone interact. energy: -0.084
local terms energy: -74.525766
where:
bonds (distance) C4'-P energy: -5.156
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -144.626938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.626938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.626938 (E_RNA)
where:
Base-Base interactions energy: -62.876
where: short stacking energy: -48.177
Base-Backbone interact. energy: -0.161
local terms energy: -81.590177
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -24.146
flat angles C4'-P-C4' energy: -21.252
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -142.530335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.530335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.530335 (E_RNA)
where:
Base-Base interactions energy: -52.942
where: short stacking energy: -52.942
Base-Backbone interact. energy: -0.004
local terms energy: -89.584168
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -134.986540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.986540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.986540 (E_RNA)
where:
Base-Base interactions energy: -64.232
where: short stacking energy: -43.630
Base-Backbone interact. energy: 0.180
local terms energy: -70.934873
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -113.764065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.764065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.764065 (E_RNA)
where:
Base-Base interactions energy: -43.470
where: short stacking energy: -41.632
Base-Backbone interact. energy: 0.826
local terms energy: -71.120178
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -102.967680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.967680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.967680 (E_RNA)
where:
Base-Base interactions energy: -31.714
where: short stacking energy: -31.714
Base-Backbone interact. energy: 1.414
local terms energy: -72.667782
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -98.619018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.619018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.619018 (E_RNA)
where:
Base-Base interactions energy: -34.796
where: short stacking energy: -28.842
Base-Backbone interact. energy: -0.215
local terms energy: -63.608347
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -250.655360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.655360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.655360 (E_RNA)
where:
Base-Base interactions energy: -147.135
where: short stacking energy: -91.757
Base-Backbone interact. energy: -0.111
local terms energy: -103.408813
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -22.901
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -30.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -235.686223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.686223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.686223 (E_RNA)
where:
Base-Base interactions energy: -136.245
where: short stacking energy: -70.802
Base-Backbone interact. energy: -0.485
local terms energy: -98.956620
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -165.470799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.470799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.470799 (E_RNA)
where:
Base-Base interactions energy: -81.601
where: short stacking energy: -63.655
Base-Backbone interact. energy: -0.108
local terms energy: -83.762037
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -15.615
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: 9
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -153.632772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.632772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.632772 (E_RNA)
where:
Base-Base interactions energy: -66.186
where: short stacking energy: -60.656
Base-Backbone interact. energy: -0.195
local terms energy: -87.250975
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -174.653817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.653817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.653817 (E_RNA)
where:
Base-Base interactions energy: -88.826
where: short stacking energy: -71.956
Base-Backbone interact. energy: -0.334
local terms energy: -85.493824
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -14.923
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: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -116.824482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.824482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.824482 (E_RNA)
where:
Base-Base interactions energy: -39.820
where: short stacking energy: -39.820
Base-Backbone interact. energy: -0.189
local terms energy: -76.814827
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -135.258212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.258212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.258212 (E_RNA)
where:
Base-Base interactions energy: -59.176
where: short stacking energy: -59.176
Base-Backbone interact. energy: 1.707
local terms energy: -77.789310
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -137.250211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.250211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.250211 (E_RNA)
where:
Base-Base interactions energy: -50.531
where: short stacking energy: -50.531
Base-Backbone interact. energy: -0.004
local terms energy: -86.715341
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -7.386
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: 9, replica: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -112.358259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.358259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.358259 (E_RNA)
where:
Base-Base interactions energy: -35.146
where: short stacking energy: -29.123
Base-Backbone interact. energy: -0.295
local terms energy: -76.917166
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -9.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -108.874576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.874576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.874576 (E_RNA)
where:
Base-Base interactions energy: -48.183
where: short stacking energy: -41.052
Base-Backbone interact. energy: 1.557
local terms energy: -62.248335
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -10.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -252.680613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.680613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.680613 (E_RNA)
where:
Base-Base interactions energy: -156.240
where: short stacking energy: -91.560
Base-Backbone interact. energy: -0.040
local terms energy: -96.401178
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -24.392
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: 2, replica: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -229.468769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.468769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.468769 (E_RNA)
where:
Base-Base interactions energy: -134.171
where: short stacking energy: -72.714
Base-Backbone interact. energy: -0.365
local terms energy: -94.932094
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -156.774799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.774799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.774799 (E_RNA)
where:
Base-Base interactions energy: -70.973
where: short stacking energy: -60.518
Base-Backbone interact. energy: -0.099
local terms energy: -85.702680
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -17.361
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: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -175.003266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.003266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.003266 (E_RNA)
where:
Base-Base interactions energy: -83.522
where: short stacking energy: -67.823
Base-Backbone interact. energy: 1.275
local terms energy: -92.756543
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -16.497
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: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -132.751059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.751059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.751059 (E_RNA)
where:
Base-Base interactions energy: -57.110
where: short stacking energy: -47.817
Base-Backbone interact. energy: -0.237
local terms energy: -75.403901
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -129.784246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.784246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.784246 (E_RNA)
where:
Base-Base interactions energy: -51.146
where: short stacking energy: -38.956
Base-Backbone interact. energy: 0.199
local terms energy: -78.836989
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -120.442204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.442204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.442204 (E_RNA)
where:
Base-Base interactions energy: -55.388
where: short stacking energy: -55.388
Base-Backbone interact. energy: -0.360
local terms energy: -64.694279
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -4.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -121.559099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.559099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.559099 (E_RNA)
where:
Base-Base interactions energy: -44.629
where: short stacking energy: -39.909
Base-Backbone interact. energy: -0.241
local terms energy: -76.688718
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -100.747968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.747968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.747968 (E_RNA)
where:
Base-Base interactions energy: -52.494
where: short stacking energy: -33.462
Base-Backbone interact. energy: 1.464
local terms energy: -49.717850
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -7.741
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: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -101.008789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.008789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.008789 (E_RNA)
where:
Base-Base interactions energy: -34.834
where: short stacking energy: -34.605
Base-Backbone interact. energy: 0.970
local terms energy: -67.145047
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -266.191583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.191583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.191583 (E_RNA)
where:
Base-Base interactions energy: -158.983
where: short stacking energy: -104.491
Base-Backbone interact. energy: -0.032
local terms energy: -107.177381
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -32.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -222.914355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.914355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.914355 (E_RNA)
where:
Base-Base interactions energy: -129.270
where: short stacking energy: -74.107
Base-Backbone interact. energy: -0.085
local terms energy: -93.559375
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -9.551
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: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -174.323493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.323493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.323493 (E_RNA)
where:
Base-Base interactions energy: -81.552
where: short stacking energy: -52.312
Base-Backbone interact. energy: -0.280
local terms energy: -92.491593
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -17.178
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -166.079716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.079716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.079716 (E_RNA)
where:
Base-Base interactions energy: -65.835
where: short stacking energy: -63.958
Base-Backbone interact. energy: -0.075
local terms energy: -100.169585
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -22.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -128.042817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.042817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.042817 (E_RNA)
where:
Base-Base interactions energy: -48.768
where: short stacking energy: -48.768
Base-Backbone interact. energy: -0.161
local terms energy: -79.113188
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -134.974758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.974758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.974758 (E_RNA)
where:
Base-Base interactions energy: -60.383
where: short stacking energy: -55.730
Base-Backbone interact. energy: -0.181
local terms energy: -74.411496
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -13.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -122.016059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.016059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.016059 (E_RNA)
where:
Base-Base interactions energy: -57.379
where: short stacking energy: -38.840
Base-Backbone interact. energy: -1.062
local terms energy: -63.574871
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -126.842811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.842811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.842811 (E_RNA)
where:
Base-Base interactions energy: -45.896
where: short stacking energy: -45.896
Base-Backbone interact. energy: -0.332
local terms energy: -80.615061
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -101.624500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.624500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.624500 (E_RNA)
where:
Base-Base interactions energy: -40.099
where: short stacking energy: -39.348
Base-Backbone interact. energy: -0.058
local terms energy: -61.467412
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -104.112298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.112298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.112298 (E_RNA)
where:
Base-Base interactions energy: -37.783
where: short stacking energy: -37.166
Base-Backbone interact. energy: -0.066
local terms energy: -66.263711
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -250.254050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.254050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.254050 (E_RNA)
where:
Base-Base interactions energy: -143.609
where: short stacking energy: -91.840
Base-Backbone interact. energy: -1.010
local terms energy: -105.634155
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -23.862
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -27.028
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: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -194.570458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.570458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.570458 (E_RNA)
where:
Base-Base interactions energy: -110.108
where: short stacking energy: -64.745
Base-Backbone interact. energy: 0.405
local terms energy: -84.867310
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -13.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -215.680763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.680763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.680763 (E_RNA)
where:
Base-Base interactions energy: -124.912
where: short stacking energy: -74.122
Base-Backbone interact. energy: -0.126
local terms energy: -90.642334
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -19.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -140.188730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.188730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.188730 (E_RNA)
where:
Base-Base interactions energy: -53.361
where: short stacking energy: -44.288
Base-Backbone interact. energy: -0.287
local terms energy: -86.540995
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -11.601
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: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -139.823449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.823449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.823449 (E_RNA)
where:
Base-Base interactions energy: -67.666
where: short stacking energy: -50.062
Base-Backbone interact. energy: -0.305
local terms energy: -71.852871
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -127.006602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.006602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.006602 (E_RNA)
where:
Base-Base interactions energy: -45.064
where: short stacking energy: -43.354
Base-Backbone interact. energy: 0.418
local terms energy: -82.359738
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -126.892965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.892965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.892965 (E_RNA)
where:
Base-Base interactions energy: -55.813
where: short stacking energy: -51.505
Base-Backbone interact. energy: -0.811
local terms energy: -70.269077
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -9.099
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: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -115.857628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.857628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.857628 (E_RNA)
where:
Base-Base interactions energy: -40.762
where: short stacking energy: -35.134
Base-Backbone interact. energy: -0.167
local terms energy: -74.929098
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -103.837446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.837446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.837446 (E_RNA)
where:
Base-Base interactions energy: -36.302
where: short stacking energy: -33.093
Base-Backbone interact. energy: -0.352
local terms energy: -67.183439
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -3.823
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: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -92.567206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.567206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.567206 (E_RNA)
where:
Base-Base interactions energy: -29.834
where: short stacking energy: -29.834
Base-Backbone interact. energy: -0.303
local terms energy: -62.430160
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -9.649
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: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -248.743991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.743991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.743991 (E_RNA)
where:
Base-Base interactions energy: -144.795
where: short stacking energy: -102.973
Base-Backbone interact. energy: -0.020
local terms energy: -103.928583
where:
bonds (distance) C4'-P energy: -19.392
bonds (distance) P-C4' energy: -17.422
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -15.159
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: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -204.511431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.511431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.511431 (E_RNA)
where:
Base-Base interactions energy: -112.418
where: short stacking energy: -69.120
Base-Backbone interact. energy: -0.120
local terms energy: -91.973628
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -18.295
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -14.031
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: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -220.390048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.390048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.390048 (E_RNA)
where:
Base-Base interactions energy: -128.284
where: short stacking energy: -85.418
Base-Backbone interact. energy: -0.193
local terms energy: -91.913177
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -22.321
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -24.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -177.428484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.428484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.428484 (E_RNA)
where:
Base-Base interactions energy: -81.134
where: short stacking energy: -70.484
Base-Backbone interact. energy: -0.280
local terms energy: -96.014389
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -22.449
flat angles P-C4'-P energy: -13.967
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: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -164.709151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.709151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.709151 (E_RNA)
where:
Base-Base interactions energy: -83.260
where: short stacking energy: -54.372
Base-Backbone interact. energy: -0.173
local terms energy: -81.275985
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -9.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -139.901172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.901172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.901172 (E_RNA)
where:
Base-Base interactions energy: -67.617
where: short stacking energy: -54.612
Base-Backbone interact. energy: 1.257
local terms energy: -73.541315
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -8.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -120.966680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.966680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.966680 (E_RNA)
where:
Base-Base interactions energy: -56.732
where: short stacking energy: -49.936
Base-Backbone interact. energy: 1.842
local terms energy: -66.076442
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -7.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -121.415859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.415859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.415859 (E_RNA)
where:
Base-Base interactions energy: -52.212
where: short stacking energy: -39.423
Base-Backbone interact. energy: -0.115
local terms energy: -69.088435
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -112.578117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.578117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.578117 (E_RNA)
where:
Base-Base interactions energy: -50.678
where: short stacking energy: -41.668
Base-Backbone interact. energy: 1.243
local terms energy: -63.143065
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -9.090
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -96.194165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.194165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.194165 (E_RNA)
where:
Base-Base interactions energy: -39.479
where: short stacking energy: -37.808
Base-Backbone interact. energy: -0.349
local terms energy: -56.366745
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -259.822517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.822517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.822517 (E_RNA)
where:
Base-Base interactions energy: -155.205
where: short stacking energy: -101.135
Base-Backbone interact. energy: -0.643
local terms energy: -103.974089
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -27.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -221.491915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.491915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.491915 (E_RNA)
where:
Base-Base interactions energy: -129.271
where: short stacking energy: -77.960
Base-Backbone interact. energy: -0.397
local terms energy: -91.823973
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -21.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -189.958893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.958893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.958893 (E_RNA)
where:
Base-Base interactions energy: -103.763
where: short stacking energy: -59.725
Base-Backbone interact. energy: -0.319
local terms energy: -85.877530
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -170.407117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.407117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.407117 (E_RNA)
where:
Base-Base interactions energy: -83.278
where: short stacking energy: -54.459
Base-Backbone interact. energy: -0.535
local terms energy: -86.594189
where:
bonds (distance) C4'-P energy: -19.676
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -139.886748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.886748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.886748 (E_RNA)
where:
Base-Base interactions energy: -56.709
where: short stacking energy: -51.188
Base-Backbone interact. energy: -0.997
local terms energy: -82.180599
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -13.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -138.580030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.580030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.580030 (E_RNA)
where:
Base-Base interactions energy: -53.425
where: short stacking energy: -52.496
Base-Backbone interact. energy: -0.095
local terms energy: -85.060678
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -113.154662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.154662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.154662 (E_RNA)
where:
Base-Base interactions energy: -39.280
where: short stacking energy: -36.166
Base-Backbone interact. energy: -0.560
local terms energy: -73.314449
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -4.928
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: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -111.908078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.908078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.908078 (E_RNA)
where:
Base-Base interactions energy: -46.893
where: short stacking energy: -44.181
Base-Backbone interact. energy: 1.555
local terms energy: -66.570474
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -6.942
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: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -101.389728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.389728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.389728 (E_RNA)
where:
Base-Base interactions energy: -41.836
where: short stacking energy: -41.836
Base-Backbone interact. energy: 0.009
local terms energy: -59.562663
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -3.440
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: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -100.315732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.315732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.315732 (E_RNA)
where:
Base-Base interactions energy: -40.628
where: short stacking energy: -40.890
Base-Backbone interact. energy: -0.208
local terms energy: -59.479245
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -240.609980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.609980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.609980 (E_RNA)
where:
Base-Base interactions energy: -132.732
where: short stacking energy: -87.763
Base-Backbone interact. energy: -0.117
local terms energy: -107.761437
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -24.260
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -23.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -211.128204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.128204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.128204 (E_RNA)
where:
Base-Base interactions energy: -119.308
where: short stacking energy: -78.071
Base-Backbone interact. energy: -0.271
local terms energy: -91.549524
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -225.087040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.087040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.087040 (E_RNA)
where:
Base-Base interactions energy: -127.043
where: short stacking energy: -66.196
Base-Backbone interact. energy: -0.839
local terms energy: -97.205503
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -199.596824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.596824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.596824 (E_RNA)
where:
Base-Base interactions energy: -107.670
where: short stacking energy: -65.109
Base-Backbone interact. energy: -0.062
local terms energy: -91.865064
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -131.518430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.518430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.518430 (E_RNA)
where:
Base-Base interactions energy: -56.777
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.252
local terms energy: -74.489609
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -124.689438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.689438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.689438 (E_RNA)
where:
Base-Base interactions energy: -50.078
where: short stacking energy: -51.235
Base-Backbone interact. energy: 0.350
local terms energy: -74.961508
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -118.294968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.294968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.294968 (E_RNA)
where:
Base-Base interactions energy: -59.071
where: short stacking energy: -46.918
Base-Backbone interact. energy: -0.223
local terms energy: -59.001489
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -109.465089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.465089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.465089 (E_RNA)
where:
Base-Base interactions energy: -29.231
where: short stacking energy: -25.996
Base-Backbone interact. energy: -1.109
local terms energy: -79.125681
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -20.023
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -17.978
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: 9, replica: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -109.564056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.564056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.564056 (E_RNA)
where:
Base-Base interactions energy: -28.259
where: short stacking energy: -27.646
Base-Backbone interact. energy: -0.559
local terms energy: -80.745621
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -97.285719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.285719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.285719 (E_RNA)
where:
Base-Base interactions energy: -31.779
where: short stacking energy: -27.306
Base-Backbone interact. energy: -0.339
local terms energy: -65.167677
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -22.480
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -261.533214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.533214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.533214 (E_RNA)
where:
Base-Base interactions energy: -156.107
where: short stacking energy: -106.656
Base-Backbone interact. energy: -0.103
local terms energy: -105.323039
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -30.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -239.841368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.841368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.841368 (E_RNA)
where:
Base-Base interactions energy: -142.482
where: short stacking energy: -82.659
Base-Backbone interact. energy: -0.698
local terms energy: -96.660792
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -23.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -195.680361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.680361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.680361 (E_RNA)
where:
Base-Base interactions energy: -104.253
where: short stacking energy: -59.314
Base-Backbone interact. energy: -0.320
local terms energy: -91.107158
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -11.549
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: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -197.879401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.879401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.879401 (E_RNA)
where:
Base-Base interactions energy: -118.770
where: short stacking energy: -61.555
Base-Backbone interact. energy: -0.648
local terms energy: -78.461180
where:
bonds (distance) C4'-P energy: -23.981
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -9.315
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: 93
Temperature: 1.100000
Total energy: -144.421017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.421017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.421017 (E_RNA)
where:
Base-Base interactions energy: -61.401
where: short stacking energy: -51.247
Base-Backbone interact. energy: -0.558
local terms energy: -82.462301
where:
bonds (distance) C4'-P energy: -21.300
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -10.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -132.494567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.494567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.494567 (E_RNA)
where:
Base-Base interactions energy: -43.901
where: short stacking energy: -42.050
Base-Backbone interact. energy: -0.357
local terms energy: -88.236066
where:
bonds (distance) C4'-P energy: -23.885
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -136.904062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.904062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.904062 (E_RNA)
where:
Base-Base interactions energy: -61.718
where: short stacking energy: -57.445
Base-Backbone interact. energy: 2.353
local terms energy: -77.538394
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -15.620
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: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -117.190128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.190128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.190128 (E_RNA)
where:
Base-Base interactions energy: -44.680
where: short stacking energy: -39.999
Base-Backbone interact. energy: -0.404
local terms energy: -72.106398
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -12.804
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: 1
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -95.983221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.983221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.983221 (E_RNA)
where:
Base-Base interactions energy: -32.999
where: short stacking energy: -24.478
Base-Backbone interact. energy: -0.194
local terms energy: -62.790318
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: 1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -105.099282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.099282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.099282 (E_RNA)
where:
Base-Base interactions energy: -41.788
where: short stacking energy: -34.919
Base-Backbone interact. energy: -1.369
local terms energy: -61.942149
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -255.260111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.260111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.260111 (E_RNA)
where:
Base-Base interactions energy: -147.149
where: short stacking energy: -97.554
Base-Backbone interact. energy: -0.005
local terms energy: -108.105563
where:
bonds (distance) C4'-P energy: -22.159
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -13.900
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: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -240.469455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.469455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.469455 (E_RNA)
where:
Base-Base interactions energy: -135.337
where: short stacking energy: -68.808
Base-Backbone interact. energy: -0.430
local terms energy: -104.703349
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -23.524
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -16.501
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: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -189.912307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.912307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.912307 (E_RNA)
where:
Base-Base interactions energy: -110.798
where: short stacking energy: -61.415
Base-Backbone interact. energy: -0.137
local terms energy: -78.976780
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -7.408
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: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -189.774525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.774525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.774525 (E_RNA)
where:
Base-Base interactions energy: -105.599
where: short stacking energy: -58.422
Base-Backbone interact. energy: -0.215
local terms energy: -83.960471
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -14.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -140.166614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.166614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.166614 (E_RNA)
where:
Base-Base interactions energy: -57.732
where: short stacking energy: -46.203
Base-Backbone interact. energy: -0.211
local terms energy: -82.223725
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -11.399
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: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -123.836811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.836811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.836811 (E_RNA)
where:
Base-Base interactions energy: -41.897
where: short stacking energy: -39.426
Base-Backbone interact. energy: -1.325
local terms energy: -80.614416
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -8.007
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: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -118.766005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.766005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.766005 (E_RNA)
where:
Base-Base interactions energy: -50.700
where: short stacking energy: -41.928
Base-Backbone interact. energy: 2.015
local terms energy: -70.080536
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -5.787
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: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -114.529802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.529802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.529802 (E_RNA)
where:
Base-Base interactions energy: -48.041
where: short stacking energy: -45.020
Base-Backbone interact. energy: 1.016
local terms energy: -67.504302
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -120.416865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.416865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.416865 (E_RNA)
where:
Base-Base interactions energy: -47.684
where: short stacking energy: -37.541
Base-Backbone interact. energy: -0.091
local terms energy: -72.642423
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -93.983318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.983318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.983318 (E_RNA)
where:
Base-Base interactions energy: -32.280
where: short stacking energy: -31.856
Base-Backbone interact. energy: -0.901
local terms energy: -60.801826
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -258.365440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.365440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.365440 (E_RNA)
where:
Base-Base interactions energy: -153.909
where: short stacking energy: -105.948
Base-Backbone interact. energy: -0.085
local terms energy: -104.371260
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -31.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -232.101581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.101581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.101581 (E_RNA)
where:
Base-Base interactions energy: -134.409
where: short stacking energy: -78.502
Base-Backbone interact. energy: -0.531
local terms energy: -97.161824
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -24.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -186.915481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.915481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.915481 (E_RNA)
where:
Base-Base interactions energy: -103.708
where: short stacking energy: -60.015
Base-Backbone interact. energy: -0.402
local terms energy: -82.805535
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -185.350346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.350346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.350346 (E_RNA)
where:
Base-Base interactions energy: -88.464
where: short stacking energy: -61.866
Base-Backbone interact. energy: -0.065
local terms energy: -96.821586
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -20.913
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -19.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -142.202192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.202192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.202192 (E_RNA)
where:
Base-Base interactions energy: -53.819
where: short stacking energy: -53.819
Base-Backbone interact. energy: -0.114
local terms energy: -88.269464
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -137.502217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.502217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.502217 (E_RNA)
where:
Base-Base interactions energy: -49.197
where: short stacking energy: -49.197
Base-Backbone interact. energy: -0.453
local terms energy: -87.852933
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -12.913
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: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -116.197427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.197427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.197427 (E_RNA)
where:
Base-Base interactions energy: -40.537
where: short stacking energy: -40.537
Base-Backbone interact. energy: -0.727
local terms energy: -74.933325
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -105.942687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.942687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.942687 (E_RNA)
where:
Base-Base interactions energy: -40.988
where: short stacking energy: -21.870
Base-Backbone interact. energy: -0.434
local terms energy: -64.521296
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -19.627
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: 0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -103.110510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.110510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.110510 (E_RNA)
where:
Base-Base interactions energy: -36.116
where: short stacking energy: -34.474
Base-Backbone interact. energy: -1.168
local terms energy: -65.826656
where:
bonds (distance) C4'-P energy: -23.219
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -92.261307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.261307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.261307 (E_RNA)
where:
Base-Base interactions energy: -36.622
where: short stacking energy: -34.278
Base-Backbone interact. energy: 2.015
local terms energy: -57.653894
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -5.374
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: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -256.894264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.894264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.894264 (E_RNA)
where:
Base-Base interactions energy: -145.622
where: short stacking energy: -87.728
Base-Backbone interact. energy: -0.007
local terms energy: -111.265968
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -29.479
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: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -235.450552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.450552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.450552 (E_RNA)
where:
Base-Base interactions energy: -142.869
where: short stacking energy: -67.410
Base-Backbone interact. energy: -0.577
local terms energy: -92.003796
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -191.603847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.603847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.603847 (E_RNA)
where:
Base-Base interactions energy: -108.943
where: short stacking energy: -62.599
Base-Backbone interact. energy: -0.071
local terms energy: -82.589644
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -186.323567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.323567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.323567 (E_RNA)
where:
Base-Base interactions energy: -99.918
where: short stacking energy: -64.985
Base-Backbone interact. energy: -0.275
local terms energy: -86.130559
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -130.364912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.364912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.364912 (E_RNA)
where:
Base-Base interactions energy: -54.121
where: short stacking energy: -54.121
Base-Backbone interact. energy: -0.182
local terms energy: -76.062527
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -125.535239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.535239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.535239 (E_RNA)
where:
Base-Base interactions energy: -54.665
where: short stacking energy: -54.665
Base-Backbone interact. energy: -0.255
local terms energy: -70.615268
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -126.077863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.077863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.077863 (E_RNA)
where:
Base-Base interactions energy: -41.532
where: short stacking energy: -35.996
Base-Backbone interact. energy: -0.079
local terms energy: -84.467376
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -23.757
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -10.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -104.026310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.026310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.026310 (E_RNA)
where:
Base-Base interactions energy: -35.303
where: short stacking energy: -35.303
Base-Backbone interact. energy: -0.456
local terms energy: -68.267913
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -116.288867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.288867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.288867 (E_RNA)
where:
Base-Base interactions energy: -42.437
where: short stacking energy: -42.437
Base-Backbone interact. energy: 1.024
local terms energy: -74.875335
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -107.183486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.183486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.183486 (E_RNA)
where:
Base-Base interactions energy: -38.659
where: short stacking energy: -36.199
Base-Backbone interact. energy: 0.170
local terms energy: -68.694092
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -4.275
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: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -255.364155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.364155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.364155 (E_RNA)
where:
Base-Base interactions energy: -146.431
where: short stacking energy: -94.051
Base-Backbone interact. energy: 0.241
local terms energy: -109.174073
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -29.325
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: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -192.522021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.522021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.522021 (E_RNA)
where:
Base-Base interactions energy: -101.959
where: short stacking energy: -75.842
Base-Backbone interact. energy: 0.831
local terms energy: -91.393522
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -210.842639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.842639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.842639 (E_RNA)
where:
Base-Base interactions energy: -118.953
where: short stacking energy: -72.969
Base-Backbone interact. energy: -0.295
local terms energy: -91.594685
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -12.465
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: 4, replica: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -182.148631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.148631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.148631 (E_RNA)
where:
Base-Base interactions energy: -101.710
where: short stacking energy: -68.508
Base-Backbone interact. energy: -0.633
local terms energy: -79.805078
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -22.641
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -153.450150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.450150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.450150 (E_RNA)
where:
Base-Base interactions energy: -73.442
where: short stacking energy: -58.580
Base-Backbone interact. energy: -0.262
local terms energy: -79.746616
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -22.833
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -134.552163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.552163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.552163 (E_RNA)
where:
Base-Base interactions energy: -72.094
where: short stacking energy: -49.415
Base-Backbone interact. energy: -0.155
local terms energy: -62.303059
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: -6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -121.745500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.745500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.745500 (E_RNA)
where:
Base-Base interactions energy: -42.849
where: short stacking energy: -40.672
Base-Backbone interact. energy: -0.127
local terms energy: -78.769231
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -6.249
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: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -105.527009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.527009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.527009 (E_RNA)
where:
Base-Base interactions energy: -32.251
where: short stacking energy: -33.195
Base-Backbone interact. energy: 0.787
local terms energy: -74.063247
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -5.643
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -114.662723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.662723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.662723 (E_RNA)
where:
Base-Base interactions energy: -44.639
where: short stacking energy: -44.035
Base-Backbone interact. energy: -0.029
local terms energy: -69.995156
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -4.278
tors. eta vs tors. theta energy: -13.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -102.836512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.836512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.836512 (E_RNA)
where:
Base-Base interactions energy: -37.616
where: short stacking energy: -23.633
Base-Backbone interact. energy: -0.452
local terms energy: -64.768591
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: 2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -246.755442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.755442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.755442 (E_RNA)
where:
Base-Base interactions energy: -141.213
where: short stacking energy: -93.084
Base-Backbone interact. energy: -0.409
local terms energy: -105.133464
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -29.634
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: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -213.651184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.651184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.651184 (E_RNA)
where:
Base-Base interactions energy: -121.328
where: short stacking energy: -83.155
Base-Backbone interact. energy: -0.025
local terms energy: -92.297405
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -21.599
flat angles P-C4'-P energy: -13.189
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: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -223.980306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.980306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.980306 (E_RNA)
where:
Base-Base interactions energy: -127.842
where: short stacking energy: -75.463
Base-Backbone interact. energy: -0.020
local terms energy: -96.118937
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -22.576
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -191.616197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.616197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.616197 (E_RNA)
where:
Base-Base interactions energy: -99.669
where: short stacking energy: -69.709
Base-Backbone interact. energy: -0.058
local terms energy: -91.889345
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -16.681
tors. eta vs tors. theta energy: -19.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -185.055251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.055251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.055251 (E_RNA)
where:
Base-Base interactions energy: -95.459
where: short stacking energy: -66.738
Base-Backbone interact. energy: -0.211
local terms energy: -89.385712
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -16.519
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: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -131.586112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.586112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.586112 (E_RNA)
where:
Base-Base interactions energy: -55.329
where: short stacking energy: -55.329
Base-Backbone interact. energy: -0.451
local terms energy: -75.805814
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -9.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -131.556398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.556398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.556398 (E_RNA)
where:
Base-Base interactions energy: -59.261
where: short stacking energy: -45.776
Base-Backbone interact. energy: -0.140
local terms energy: -72.155672
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -7.620
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: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -122.640600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.640600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.640600 (E_RNA)
where:
Base-Base interactions energy: -54.794
where: short stacking energy: -38.384
Base-Backbone interact. energy: -0.308
local terms energy: -67.538023
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -9.909
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: 9, replica: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -100.070493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.070493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.070493 (E_RNA)
where:
Base-Base interactions energy: -44.022
where: short stacking energy: -24.089
Base-Backbone interact. energy: -0.435
local terms energy: -55.613911
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: 5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -85.485760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.485760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.485760 (E_RNA)
where:
Base-Base interactions energy: -23.205
where: short stacking energy: -23.205
Base-Backbone interact. energy: -0.271
local terms energy: -62.009226
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: 2.134
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: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -255.877067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.877067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.877067 (E_RNA)
where:
Base-Base interactions energy: -143.641
where: short stacking energy: -92.940
Base-Backbone interact. energy: -0.381
local terms energy: -111.854880
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -28.733
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: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -229.692258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.692258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.692258 (E_RNA)
where:
Base-Base interactions energy: -131.204
where: short stacking energy: -91.622
Base-Backbone interact. energy: -0.249
local terms energy: -98.238892
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -22.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -187.181796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.181796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.181796 (E_RNA)
where:
Base-Base interactions energy: -94.614
where: short stacking energy: -68.646
Base-Backbone interact. energy: 0.093
local terms energy: -92.660514
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -19.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -186.852157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.852157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.852157 (E_RNA)
where:
Base-Base interactions energy: -92.288
where: short stacking energy: -70.728
Base-Backbone interact. energy: -0.089
local terms energy: -94.474962
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -22.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -180.983362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.983362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.983362 (E_RNA)
where:
Base-Base interactions energy: -88.841
where: short stacking energy: -57.247
Base-Backbone interact. energy: -0.039
local terms energy: -92.103847
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -22.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -132.000424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.000424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.000424 (E_RNA)
where:
Base-Base interactions energy: -53.924
where: short stacking energy: -53.924
Base-Backbone interact. energy: -0.003
local terms energy: -78.073264
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -13.138
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: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -123.962130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.962130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.962130 (E_RNA)
where:
Base-Base interactions energy: -43.591
where: short stacking energy: -43.591
Base-Backbone interact. energy: -0.071
local terms energy: -80.300284
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -10.170
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: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -114.250346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.250346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.250346 (E_RNA)
where:
Base-Base interactions energy: -47.846
where: short stacking energy: -24.117
Base-Backbone interact. energy: -0.148
local terms energy: -66.257004
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -20.571
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -113.331442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.331442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.331442 (E_RNA)
where:
Base-Base interactions energy: -47.929
where: short stacking energy: -33.856
Base-Backbone interact. energy: -0.489
local terms energy: -64.913516
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -94.719475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.719475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.719475 (E_RNA)
where:
Base-Base interactions energy: -29.188
where: short stacking energy: -29.188
Base-Backbone interact. energy: -0.203
local terms energy: -65.329118
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -234.254141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.254141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.254141 (E_RNA)
where:
Base-Base interactions energy: -126.501
where: short stacking energy: -86.934
Base-Backbone interact. energy: -0.113
local terms energy: -107.640856
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -23.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -228.434726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.434726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.434726 (E_RNA)
where:
Base-Base interactions energy: -125.038
where: short stacking energy: -86.559
Base-Backbone interact. energy: -0.012
local terms energy: -103.384660
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -24.452
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: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -193.787492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.787492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.787492 (E_RNA)
where:
Base-Base interactions energy: -88.367
where: short stacking energy: -59.153
Base-Backbone interact. energy: -0.281
local terms energy: -105.140083
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -17.293
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -177.248178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.248178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.248178 (E_RNA)
where:
Base-Base interactions energy: -88.867
where: short stacking energy: -56.017
Base-Backbone interact. energy: 0.630
local terms energy: -89.011185
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -8.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -184.946895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.946895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.946895 (E_RNA)
where:
Base-Base interactions energy: -93.691
where: short stacking energy: -67.396
Base-Backbone interact. energy: -0.054
local terms energy: -91.201039
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -19.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -116.220479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.220479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.220479 (E_RNA)
where:
Base-Base interactions energy: -36.438
where: short stacking energy: -36.258
Base-Backbone interact. energy: -0.851
local terms energy: -78.931382
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -123.365794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.365794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.365794 (E_RNA)
where:
Base-Base interactions energy: -44.860
where: short stacking energy: -44.166
Base-Backbone interact. energy: -0.088
local terms energy: -78.418021
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -5.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -98.733897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.733897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.733897 (E_RNA)
where:
Base-Base interactions energy: -39.759
where: short stacking energy: -28.605
Base-Backbone interact. energy: -0.543
local terms energy: -58.431261
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: 2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -98.316823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.316823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.316823 (E_RNA)
where:
Base-Base interactions energy: -39.294
where: short stacking energy: -35.025
Base-Backbone interact. energy: -0.136
local terms energy: -58.886421
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: 0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -84.918075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.918075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.918075 (E_RNA)
where:
Base-Base interactions energy: -33.572
where: short stacking energy: -10.562
Base-Backbone interact. energy: -0.405
local terms energy: -50.940747
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: 7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -222.760580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.760580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.760580 (E_RNA)
where:
Base-Base interactions energy: -129.921
where: short stacking energy: -85.846
Base-Backbone interact. energy: -0.052
local terms energy: -92.787157
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -22.826
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: -22.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -213.922671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.922671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.922671 (E_RNA)
where:
Base-Base interactions energy: -115.825
where: short stacking energy: -76.575
Base-Backbone interact. energy: -0.326
local terms energy: -97.771602
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -186.520525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.520525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.520525 (E_RNA)
where:
Base-Base interactions energy: -93.285
where: short stacking energy: -64.414
Base-Backbone interact. energy: -0.264
local terms energy: -92.971776
where:
bonds (distance) C4'-P energy: -23.542
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -16.342
tors. eta vs tors. theta energy: -12.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -201.970463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.970463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.970463 (E_RNA)
where:
Base-Base interactions energy: -125.388
where: short stacking energy: -70.081
Base-Backbone interact. energy: 0.184
local terms energy: -76.766876
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -173.884024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.884024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.884024 (E_RNA)
where:
Base-Base interactions energy: -89.129
where: short stacking energy: -63.345
Base-Backbone interact. energy: -0.142
local terms energy: -84.612699
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -23.375
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -153.064132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.064132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.064132 (E_RNA)
where:
Base-Base interactions energy: -69.117
where: short stacking energy: -62.537
Base-Backbone interact. energy: -0.259
local terms energy: -83.688343
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -126.211241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.211241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.211241 (E_RNA)
where:
Base-Base interactions energy: -47.294
where: short stacking energy: -47.294
Base-Backbone interact. energy: -0.042
local terms energy: -78.875330
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -11.195
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: 8, replica: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -110.707513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.707513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.707513 (E_RNA)
where:
Base-Base interactions energy: -44.178
where: short stacking energy: -26.696
Base-Backbone interact. energy: -0.148
local terms energy: -66.381288
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: 0.250
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: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -100.028845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.028845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.028845 (E_RNA)
where:
Base-Base interactions energy: -29.831
where: short stacking energy: -27.164
Base-Backbone interact. energy: -0.284
local terms energy: -69.913795
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -141.935297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.935297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.935297 (E_RNA)
where:
Base-Base interactions energy: -70.692
where: short stacking energy: -43.955
Base-Backbone interact. energy: 1.563
local terms energy: -72.806498
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -17.888
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -14.858
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: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -240.126462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.126462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.126462 (E_RNA)
where:
Base-Base interactions energy: -138.079
where: short stacking energy: -88.898
Base-Backbone interact. energy: -0.010
local terms energy: -102.038028
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -21.572
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -26.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -227.738910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.738910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.738910 (E_RNA)
where:
Base-Base interactions energy: -132.383
where: short stacking energy: -69.444
Base-Backbone interact. energy: -0.226
local terms energy: -95.129446
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -23.131
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -20.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -197.408838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.408838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.408838 (E_RNA)
where:
Base-Base interactions energy: -99.350
where: short stacking energy: -49.539
Base-Backbone interact. energy: -0.268
local terms energy: -97.790802
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: -19.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -190.306743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.306743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.306743 (E_RNA)
where:
Base-Base interactions energy: -102.845
where: short stacking energy: -69.287
Base-Backbone interact. energy: 0.240
local terms energy: -87.701296
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -143.760845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.760845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.760845 (E_RNA)
where:
Base-Base interactions energy: -60.210
where: short stacking energy: -60.692
Base-Backbone interact. energy: -0.333
local terms energy: -83.217576
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -167.489376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.489376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.489376 (E_RNA)
where:
Base-Base interactions energy: -91.499
where: short stacking energy: -63.993
Base-Backbone interact. energy: 0.252
local terms energy: -76.242645
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -104.668297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.668297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.668297 (E_RNA)
where:
Base-Base interactions energy: -35.129
where: short stacking energy: -34.831
Base-Backbone interact. energy: -0.199
local terms energy: -69.339801
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -10.081
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: 8, replica: 3
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -109.973192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.973192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.973192 (E_RNA)
where:
Base-Base interactions energy: -38.212
where: short stacking energy: -37.222
Base-Backbone interact. energy: -0.048
local terms energy: -71.713053
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -7.323
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: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -109.527027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.527027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.527027 (E_RNA)
where:
Base-Base interactions energy: -37.807
where: short stacking energy: -37.807
Base-Backbone interact. energy: -0.230
local terms energy: -71.489828
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -8.629
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: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -98.084250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.084250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.084250 (E_RNA)
where:
Base-Base interactions energy: -24.725
where: short stacking energy: -23.415
Base-Backbone interact. energy: -0.349
local terms energy: -73.010139
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -23.112
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -255.976885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.976885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.976885 (E_RNA)
where:
Base-Base interactions energy: -147.538
where: short stacking energy: -94.928
Base-Backbone interact. energy: -0.002
local terms energy: -108.437523
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -21.538
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -25.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -242.809094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.809094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.809094 (E_RNA)
where:
Base-Base interactions energy: -139.982
where: short stacking energy: -77.402
Base-Backbone interact. energy: -0.132
local terms energy: -102.694858
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -200.962093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.962093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.962093 (E_RNA)
where:
Base-Base interactions energy: -106.237
where: short stacking energy: -76.666
Base-Backbone interact. energy: -0.327
local terms energy: -94.397818
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -17.847
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: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -198.510071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.510071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.510071 (E_RNA)
where:
Base-Base interactions energy: -103.238
where: short stacking energy: -69.101
Base-Backbone interact. energy: -0.129
local terms energy: -95.143789
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -13.688
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: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -146.145032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.145032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.145032 (E_RNA)
where:
Base-Base interactions energy: -71.358
where: short stacking energy: -54.202
Base-Backbone interact. energy: -1.000
local terms energy: -73.787211
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -169.336540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.336540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.336540 (E_RNA)
where:
Base-Base interactions energy: -78.861
where: short stacking energy: -47.409
Base-Backbone interact. energy: -0.061
local terms energy: -90.414533
where:
bonds (distance) C4'-P energy: -20.788
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -23.747
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -113.319821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.319821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.319821 (E_RNA)
where:
Base-Base interactions energy: -47.985
where: short stacking energy: -40.722
Base-Backbone interact. energy: -0.306
local terms energy: -65.029078
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -137.578716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.578716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.578716 (E_RNA)
where:
Base-Base interactions energy: -66.736
where: short stacking energy: -36.583
Base-Backbone interact. energy: 0.984
local terms energy: -71.826831
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -9.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -117.003162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.003162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.003162 (E_RNA)
where:
Base-Base interactions energy: -38.711
where: short stacking energy: -34.230
Base-Backbone interact. energy: -0.256
local terms energy: -78.036233
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -5.510
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: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -91.577006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.577006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.577006 (E_RNA)
where:
Base-Base interactions energy: -30.215
where: short stacking energy: -29.727
Base-Backbone interact. energy: -0.472
local terms energy: -60.890019
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -249.879515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.879515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.879515 (E_RNA)
where:
Base-Base interactions energy: -150.564
where: short stacking energy: -90.715
Base-Backbone interact. energy: -0.144
local terms energy: -99.171574
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -25.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -229.504283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.504283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.504283 (E_RNA)
where:
Base-Base interactions energy: -123.622
where: short stacking energy: -83.533
Base-Backbone interact. energy: -0.056
local terms energy: -105.826187
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -22.003
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -23.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -202.007244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.007244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.007244 (E_RNA)
where:
Base-Base interactions energy: -111.384
where: short stacking energy: -69.371
Base-Backbone interact. energy: 0.283
local terms energy: -90.906783
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -208.838528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.838528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.838528 (E_RNA)
where:
Base-Base interactions energy: -114.858
where: short stacking energy: -85.653
Base-Backbone interact. energy: -0.268
local terms energy: -93.712290
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -23.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -175.533675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.533675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.533675 (E_RNA)
where:
Base-Base interactions energy: -94.745
where: short stacking energy: -52.783
Base-Backbone interact. energy: -0.238
local terms energy: -80.550416
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -10.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -141.888790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.888790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.888790 (E_RNA)
where:
Base-Base interactions energy: -63.028
where: short stacking energy: -45.137
Base-Backbone interact. energy: -0.105
local terms energy: -78.755800
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: -13.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -145.891414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.891414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.891414 (E_RNA)
where:
Base-Base interactions energy: -74.856
where: short stacking energy: -47.573
Base-Backbone interact. energy: -0.062
local terms energy: -70.973834
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -114.777841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.777841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.777841 (E_RNA)
where:
Base-Base interactions energy: -42.314
where: short stacking energy: -38.587
Base-Backbone interact. energy: -0.222
local terms energy: -72.241895
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -112.526869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.526869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.526869 (E_RNA)
where:
Base-Base interactions energy: -48.526
where: short stacking energy: -35.286
Base-Backbone interact. energy: -0.228
local terms energy: -63.773206
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -7.620
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: 10, replica: 2
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -93.123830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.123830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.123830 (E_RNA)
where:
Base-Base interactions energy: -34.745
where: short stacking energy: -34.745
Base-Backbone interact. energy: -0.133
local terms energy: -58.245903
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: 1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -246.245406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.245406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.245406 (E_RNA)
where:
Base-Base interactions energy: -138.831
where: short stacking energy: -84.823
Base-Backbone interact. energy: -0.213
local terms energy: -107.201725
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -24.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -250.691799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.691799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.691799 (E_RNA)
where:
Base-Base interactions energy: -136.597
where: short stacking energy: -98.912
Base-Backbone interact. energy: -0.742
local terms energy: -113.353176
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -15.851
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: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -191.811198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.811198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.811198 (E_RNA)
where:
Base-Base interactions energy: -100.393
where: short stacking energy: -74.096
Base-Backbone interact. energy: -0.059
local terms energy: -91.358650
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -183.496481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.496481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.496481 (E_RNA)
where:
Base-Base interactions energy: -92.338
where: short stacking energy: -59.239
Base-Backbone interact. energy: -0.173
local terms energy: -90.986106
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -14.448
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: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -173.801508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.801508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.801508 (E_RNA)
where:
Base-Base interactions energy: -89.471
where: short stacking energy: -58.019
Base-Backbone interact. energy: -0.109
local terms energy: -84.221518
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -13.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -140.089338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.089338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.089338 (E_RNA)
where:
Base-Base interactions energy: -51.498
where: short stacking energy: -50.356
Base-Backbone interact. energy: -0.554
local terms energy: -88.037583
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -20.545
flat angles P-C4'-P energy: -12.019
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: 7, replica: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -133.904447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.904447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.904447 (E_RNA)
where:
Base-Base interactions energy: -49.459
where: short stacking energy: -49.459
Base-Backbone interact. energy: -0.021
local terms energy: -84.424351
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -9.766
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: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -111.764070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.764070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.764070 (E_RNA)
where:
Base-Base interactions energy: -43.326
where: short stacking energy: -42.207
Base-Backbone interact. energy: -0.045
local terms energy: -68.393146
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -13.231
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: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -110.752484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.752484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.752484 (E_RNA)
where:
Base-Base interactions energy: -42.438
where: short stacking energy: -39.617
Base-Backbone interact. energy: -0.229
local terms energy: -68.085209
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -99.983692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.983692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.983692 (E_RNA)
where:
Base-Base interactions energy: -35.008
where: short stacking energy: -35.008
Base-Backbone interact. energy: -0.273
local terms energy: -64.703340
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -11.788
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: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -248.279174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.279174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.279174 (E_RNA)
where:
Base-Base interactions energy: -138.730
where: short stacking energy: -89.531
Base-Backbone interact. energy: -0.007
local terms energy: -109.542577
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -17.079
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: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -237.577141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.577141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.577141 (E_RNA)
where:
Base-Base interactions energy: -138.988
where: short stacking energy: -77.928
Base-Backbone interact. energy: -0.689
local terms energy: -97.899731
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -21.919
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: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -184.293335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.293335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.293335 (E_RNA)
where:
Base-Base interactions energy: -92.176
where: short stacking energy: -63.998
Base-Backbone interact. energy: 0.509
local terms energy: -92.626757
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -19.403
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: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -174.908060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.908060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.908060 (E_RNA)
where:
Base-Base interactions energy: -90.431
where: short stacking energy: -63.577
Base-Backbone interact. energy: -0.334
local terms energy: -84.142681
where:
bonds (distance) C4'-P energy: -20.006
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -16.655
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: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -170.921427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.921427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.921427 (E_RNA)
where:
Base-Base interactions energy: -94.676
where: short stacking energy: -62.919
Base-Backbone interact. energy: -0.219
local terms energy: -76.025721
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -14.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -144.674437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.674437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.674437 (E_RNA)
where:
Base-Base interactions energy: -59.050
where: short stacking energy: -58.448
Base-Backbone interact. energy: -2.676
local terms energy: -82.948682
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -121.939177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.939177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.939177 (E_RNA)
where:
Base-Base interactions energy: -43.080
where: short stacking energy: -40.410
Base-Backbone interact. energy: 0.831
local terms energy: -79.690549
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -117.567083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.567083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.567083 (E_RNA)
where:
Base-Base interactions energy: -39.830
where: short stacking energy: -36.154
Base-Backbone interact. energy: -0.484
local terms energy: -77.252511
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -99.484873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.484873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.484873 (E_RNA)
where:
Base-Base interactions energy: -41.683
where: short stacking energy: -40.192
Base-Backbone interact. energy: -0.580
local terms energy: -57.222419
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -24.342
flat angles P-C4'-P energy: 0.757
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -99.372392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.372392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.372392 (E_RNA)
where:
Base-Base interactions energy: -31.241
where: short stacking energy: -22.551
Base-Backbone interact. energy: 1.089
local terms energy: -69.219734
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -10.425
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: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -237.480750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.480750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.480750 (E_RNA)
where:
Base-Base interactions energy: -130.955
where: short stacking energy: -86.198
Base-Backbone interact. energy: -0.148
local terms energy: -106.377595
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -25.756
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: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -227.251434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.251434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.251434 (E_RNA)
where:
Base-Base interactions energy: -128.492
where: short stacking energy: -77.202
Base-Backbone interact. energy: -0.119
local terms energy: -98.639720
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -21.385
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -21.337
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: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -167.718618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.718618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.718618 (E_RNA)
where:
Base-Base interactions energy: -90.036
where: short stacking energy: -74.539
Base-Backbone interact. energy: -0.165
local terms energy: -77.517552
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -11.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -170.953530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.953530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.953530 (E_RNA)
where:
Base-Base interactions energy: -81.515
where: short stacking energy: -57.711
Base-Backbone interact. energy: -0.179
local terms energy: -89.260171
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -173.573272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.573272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.573272 (E_RNA)
where:
Base-Base interactions energy: -80.034
where: short stacking energy: -54.274
Base-Backbone interact. energy: 0.092
local terms energy: -93.630887
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -138.264584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.264584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.264584 (E_RNA)
where:
Base-Base interactions energy: -52.577
where: short stacking energy: -52.577
Base-Backbone interact. energy: -0.211
local terms energy: -85.477482
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -12.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -118.269991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.269991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.269991 (E_RNA)
where:
Base-Base interactions energy: -46.016
where: short stacking energy: -31.988
Base-Backbone interact. energy: -0.185
local terms energy: -72.068650
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -126.455154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.455154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.455154 (E_RNA)
where:
Base-Base interactions energy: -50.129
where: short stacking energy: -39.555
Base-Backbone interact. energy: 0.155
local terms energy: -76.480900
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -22.805
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -13.105
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: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -104.470093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.470093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.470093 (E_RNA)
where:
Base-Base interactions energy: -34.007
where: short stacking energy: -34.007
Base-Backbone interact. energy: -0.069
local terms energy: -70.394583
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -7.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -100.906543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.906543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.906543 (E_RNA)
where:
Base-Base interactions energy: -50.026
where: short stacking energy: -27.008
Base-Backbone interact. energy: -0.077
local terms energy: -50.802924
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -2.597
tors. eta vs tors. theta energy: 3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -236.117759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.117759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.117759 (E_RNA)
where:
Base-Base interactions energy: -128.284
where: short stacking energy: -82.478
Base-Backbone interact. energy: -0.029
local terms energy: -107.805371
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -23.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -233.083635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.083635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.083635 (E_RNA)
where:
Base-Base interactions energy: -133.052
where: short stacking energy: -80.360
Base-Backbone interact. energy: -0.254
local terms energy: -99.777980
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -171.063661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.063661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.063661 (E_RNA)
where:
Base-Base interactions energy: -97.047
where: short stacking energy: -46.623
Base-Backbone interact. energy: -0.224
local terms energy: -73.793526
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -155.529628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.529628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.529628 (E_RNA)
where:
Base-Base interactions energy: -77.966
where: short stacking energy: -64.329
Base-Backbone interact. energy: -1.625
local terms energy: -75.939062
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -14.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -179.281668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.281668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.281668 (E_RNA)
where:
Base-Base interactions energy: -88.414
where: short stacking energy: -62.540
Base-Backbone interact. energy: -0.079
local terms energy: -90.788335
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -11.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -157.809669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.809669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.809669 (E_RNA)
where:
Base-Base interactions energy: -73.661
where: short stacking energy: -54.187
Base-Backbone interact. energy: -0.252
local terms energy: -83.896493
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -108.887267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.887267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.887267 (E_RNA)
where:
Base-Base interactions energy: -36.268
where: short stacking energy: -34.301
Base-Backbone interact. energy: -0.343
local terms energy: -72.275935
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -109.488462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.488462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.488462 (E_RNA)
where:
Base-Base interactions energy: -40.207
where: short stacking energy: -36.466
Base-Backbone interact. energy: -0.147
local terms energy: -69.134738
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -18.882
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -11.610
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: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -101.493628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.493628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.493628 (E_RNA)
where:
Base-Base interactions energy: -27.887
where: short stacking energy: -26.118
Base-Backbone interact. energy: -0.029
local terms energy: -73.577732
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -98.264003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.264003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.264003 (E_RNA)
where:
Base-Base interactions energy: -31.453
where: short stacking energy: -28.185
Base-Backbone interact. energy: 1.616
local terms energy: -68.426470
where:
bonds (distance) C4'-P energy: -22.888
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -259.762142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.762142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.762142 (E_RNA)
where:
Base-Base interactions energy: -153.087
where: short stacking energy: -100.554
Base-Backbone interact. energy: -0.003
local terms energy: -106.672412
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -23.471
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -27.962
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: 2, replica: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -220.139510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.139510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.139510 (E_RNA)
where:
Base-Base interactions energy: -119.931
where: short stacking energy: -79.320
Base-Backbone interact. energy: 0.545
local terms energy: -100.753044
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -23.120
flat angles P-C4'-P energy: -10.375
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: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -189.939291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.939291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.939291 (E_RNA)
where:
Base-Base interactions energy: -103.677
where: short stacking energy: -67.483
Base-Backbone interact. energy: -0.238
local terms energy: -86.024648
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -21.267
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -10.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -183.289813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.289813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.289813 (E_RNA)
where:
Base-Base interactions energy: -92.106
where: short stacking energy: -59.694
Base-Backbone interact. energy: -0.372
local terms energy: -90.811133
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -155.571487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.571487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.571487 (E_RNA)
where:
Base-Base interactions energy: -72.923
where: short stacking energy: -66.360
Base-Backbone interact. energy: -0.127
local terms energy: -82.521335
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -128.744159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.744159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.744159 (E_RNA)
where:
Base-Base interactions energy: -56.883
where: short stacking energy: -38.334
Base-Backbone interact. energy: -0.157
local terms energy: -71.704234
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -20.726
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -6.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -123.833169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.833169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.833169 (E_RNA)
where:
Base-Base interactions energy: -49.289
where: short stacking energy: -49.289
Base-Backbone interact. energy: -0.270
local terms energy: -74.274076
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -19.223
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -108.729048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.729048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.729048 (E_RNA)
where:
Base-Base interactions energy: -33.757
where: short stacking energy: -32.822
Base-Backbone interact. energy: -1.353
local terms energy: -73.619169
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -12.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -99.510270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.510270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.510270 (E_RNA)
where:
Base-Base interactions energy: -36.874
where: short stacking energy: -20.628
Base-Backbone interact. energy: -2.997
local terms energy: -59.639477
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -96.806996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.806996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.806996 (E_RNA)
where:
Base-Base interactions energy: -29.261
where: short stacking energy: -28.121
Base-Backbone interact. energy: -0.078
local terms energy: -67.468570
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -249.726503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.726503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.726503 (E_RNA)
where:
Base-Base interactions energy: -150.078
where: short stacking energy: -90.168
Base-Backbone interact. energy: -0.001
local terms energy: -99.648063
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -24.266
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -25.002
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: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -229.976105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.976105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.976105 (E_RNA)
where:
Base-Base interactions energy: -127.307
where: short stacking energy: -83.924
Base-Backbone interact. energy: -0.208
local terms energy: -102.460694
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -23.601
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -23.239
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: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -201.508384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.508384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.508384 (E_RNA)
where:
Base-Base interactions energy: -104.201
where: short stacking energy: -71.881
Base-Backbone interact. energy: -0.086
local terms energy: -97.221113
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -197.658209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.658209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.658209 (E_RNA)
where:
Base-Base interactions energy: -109.755
where: short stacking energy: -60.792
Base-Backbone interact. energy: -0.022
local terms energy: -87.880927
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -120.298080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.298080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.298080 (E_RNA)
where:
Base-Base interactions energy: -41.875
where: short stacking energy: -37.397
Base-Backbone interact. energy: -0.173
local terms energy: -78.250567
where:
bonds (distance) C4'-P energy: -22.718
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -130.705153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.705153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.705153 (E_RNA)
where:
Base-Base interactions energy: -56.941
where: short stacking energy: -38.932
Base-Backbone interact. energy: 0.582
local terms energy: -74.345967
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -113.567894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.567894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.567894 (E_RNA)
where:
Base-Base interactions energy: -42.758
where: short stacking energy: -38.858
Base-Backbone interact. energy: 0.673
local terms energy: -71.483476
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -5.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -109.419890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.419890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.419890 (E_RNA)
where:
Base-Base interactions energy: -41.051
where: short stacking energy: -28.671
Base-Backbone interact. energy: -1.463
local terms energy: -66.905693
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -104.462467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.462467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.462467 (E_RNA)
where:
Base-Base interactions energy: -33.726
where: short stacking energy: -33.726
Base-Backbone interact. energy: -1.088
local terms energy: -69.648410
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -5.227
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: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -112.308712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.308712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.308712 (E_RNA)
where:
Base-Base interactions energy: -46.561
where: short stacking energy: -28.302
Base-Backbone interact. energy: 2.752
local terms energy: -68.500441
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -1.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -255.264405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.264405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.264405 (E_RNA)
where:
Base-Base interactions energy: -141.361
where: short stacking energy: -96.972
Base-Backbone interact. energy: -0.301
local terms energy: -113.602669
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -29.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -204.048615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.048615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.048615 (E_RNA)
where:
Base-Base interactions energy: -108.703
where: short stacking energy: -70.673
Base-Backbone interact. energy: -0.451
local terms energy: -94.894036
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -221.678004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.678004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.678004 (E_RNA)
where:
Base-Base interactions energy: -124.232
where: short stacking energy: -72.245
Base-Backbone interact. energy: -0.356
local terms energy: -97.089651
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -170.940937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.940937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.940937 (E_RNA)
where:
Base-Base interactions energy: -98.114
where: short stacking energy: -67.320
Base-Backbone interact. energy: -0.570
local terms energy: -72.257632
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -1.970
tors. eta vs tors. theta energy: -12.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -134.957490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.957490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.957490 (E_RNA)
where:
Base-Base interactions energy: -52.955
where: short stacking energy: -44.232
Base-Backbone interact. energy: 0.259
local terms energy: -82.261287
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -124.190430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.190430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.190430 (E_RNA)
where:
Base-Base interactions energy: -39.914
where: short stacking energy: -40.314
Base-Backbone interact. energy: -0.042
local terms energy: -84.235174
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -21.815
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -152.156253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.156253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.156253 (E_RNA)
where:
Base-Base interactions energy: -87.941
where: short stacking energy: -45.811
Base-Backbone interact. energy: -1.329
local terms energy: -62.886505
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -2.824
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -128.119316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.119316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.119316 (E_RNA)
where:
Base-Base interactions energy: -56.823
where: short stacking energy: -41.604
Base-Backbone interact. energy: -0.021
local terms energy: -71.275733
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -106.079844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.079844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.079844 (E_RNA)
where:
Base-Base interactions energy: -34.288
where: short stacking energy: -34.288
Base-Backbone interact. energy: -0.201
local terms energy: -71.590957
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -94.204231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.204231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.204231 (E_RNA)
where:
Base-Base interactions energy: -24.904
where: short stacking energy: -18.743
Base-Backbone interact. energy: -0.299
local terms energy: -69.001236
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -2.935
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: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -257.584635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.584635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.584635 (E_RNA)
where:
Base-Base interactions energy: -151.713
where: short stacking energy: -101.628
Base-Backbone interact. energy: -0.006
local terms energy: -105.865493
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -30.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -218.269241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.269241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.269241 (E_RNA)
where:
Base-Base interactions energy: -116.366
where: short stacking energy: -79.619
Base-Backbone interact. energy: 0.047
local terms energy: -101.950239
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -23.181
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: 8
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -195.305989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.305989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.305989 (E_RNA)
where:
Base-Base interactions energy: -104.205
where: short stacking energy: -64.844
Base-Backbone interact. energy: -0.219
local terms energy: -90.881556
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -169.883686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.883686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.883686 (E_RNA)
where:
Base-Base interactions energy: -83.898
where: short stacking energy: -55.343
Base-Backbone interact. energy: -0.213
local terms energy: -85.773213
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -14.368
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: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -138.585515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.585515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.585515 (E_RNA)
where:
Base-Base interactions energy: -58.515
where: short stacking energy: -58.515
Base-Backbone interact. energy: -0.210
local terms energy: -79.861171
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -16.007
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: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -119.174186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.174186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.174186 (E_RNA)
where:
Base-Base interactions energy: -54.056
where: short stacking energy: -53.327
Base-Backbone interact. energy: 0.017
local terms energy: -65.135817
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -126.873747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.873747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.873747 (E_RNA)
where:
Base-Base interactions energy: -57.148
where: short stacking energy: -34.297
Base-Backbone interact. energy: 1.850
local terms energy: -71.575726
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -113.104524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.104524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.104524 (E_RNA)
where:
Base-Base interactions energy: -33.108
where: short stacking energy: -33.108
Base-Backbone interact. energy: -0.204
local terms energy: -79.792001
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -5.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -102.738540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.738540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.738540 (E_RNA)
where:
Base-Base interactions energy: -42.282
where: short stacking energy: -42.282
Base-Backbone interact. energy: 0.931
local terms energy: -61.387780
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -93.788962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.788962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.788962 (E_RNA)
where:
Base-Base interactions energy: -31.697
where: short stacking energy: -27.971
Base-Backbone interact. energy: 0.375
local terms energy: -62.466834
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -259.881716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.881716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.881716 (E_RNA)
where:
Base-Base interactions energy: -149.820
where: short stacking energy: -103.167
Base-Backbone interact. energy: -0.486
local terms energy: -109.575713
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -30.517
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: 2, replica: 7
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -222.838822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.838822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.838822 (E_RNA)
where:
Base-Base interactions energy: -123.519
where: short stacking energy: -81.581
Base-Backbone interact. energy: -0.035
local terms energy: -99.284873
where:
bonds (distance) C4'-P energy: -22.930
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -214.269272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.269272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.269272 (E_RNA)
where:
Base-Base interactions energy: -117.275
where: short stacking energy: -77.394
Base-Backbone interact. energy: -0.155
local terms energy: -96.839517
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -17.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -141.006279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.006279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.006279 (E_RNA)
where:
Base-Base interactions energy: -60.462
where: short stacking energy: -58.719
Base-Backbone interact. energy: -0.021
local terms energy: -80.522827
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -163.989593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.989593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.989593 (E_RNA)
where:
Base-Base interactions energy: -99.340
where: short stacking energy: -66.341
Base-Backbone interact. energy: 0.339
local terms energy: -64.988870
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -132.228981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.228981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.228981 (E_RNA)
where:
Base-Base interactions energy: -60.135
where: short stacking energy: -60.135
Base-Backbone interact. energy: -0.088
local terms energy: -72.005668
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -8.813
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -112.195046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.195046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.195046 (E_RNA)
where:
Base-Base interactions energy: -43.571
where: short stacking energy: -42.555
Base-Backbone interact. energy: -0.369
local terms energy: -68.255479
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -23.180
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -5.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -105.613868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.613868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.613868 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -30.896
Base-Backbone interact. energy: 0.093
local terms energy: -73.431131
where:
bonds (distance) C4'-P energy: -20.759
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -18.774
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: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -105.820630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.820630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.820630 (E_RNA)
where:
Base-Base interactions energy: -42.577
where: short stacking energy: -42.577
Base-Backbone interact. energy: -0.048
local terms energy: -63.194964
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -20.064
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -4.257
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: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -96.753074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.753074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.753074 (E_RNA)
where:
Base-Base interactions energy: -35.021
where: short stacking energy: -30.284
Base-Backbone interact. energy: -0.252
local terms energy: -61.480602
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -254.435816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.435816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.435816 (E_RNA)
where:
Base-Base interactions energy: -145.791
where: short stacking energy: -102.197
Base-Backbone interact. energy: -0.123
local terms energy: -108.521695
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -28.184
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: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -188.616064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.616064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.616064 (E_RNA)
where:
Base-Base interactions energy: -92.448
where: short stacking energy: -62.094
Base-Backbone interact. energy: -0.151
local terms energy: -96.017310
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -23.878
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -202.872135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.872135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.872135 (E_RNA)
where:
Base-Base interactions energy: -107.480
where: short stacking energy: -67.091
Base-Backbone interact. energy: -0.041
local terms energy: -95.351151
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -15.705
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: 4, replica: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -162.261926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.261926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.261926 (E_RNA)
where:
Base-Base interactions energy: -64.083
where: short stacking energy: -64.083
Base-Backbone interact. energy: -0.105
local terms energy: -98.074230
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -22.243
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -170.167381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.167381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.167381 (E_RNA)
where:
Base-Base interactions energy: -82.695
where: short stacking energy: -54.672
Base-Backbone interact. energy: -0.090
local terms energy: -87.382146
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -12.302
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: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -148.550877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.550877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.550877 (E_RNA)
where:
Base-Base interactions energy: -52.903
where: short stacking energy: -52.903
Base-Backbone interact. energy: -0.122
local terms energy: -95.526313
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -15.537
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: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -124.547825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.547825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.547825 (E_RNA)
where:
Base-Base interactions energy: -50.115
where: short stacking energy: -43.179
Base-Backbone interact. energy: -0.280
local terms energy: -74.151894
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -7.759
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: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -108.976006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.976006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.976006 (E_RNA)
where:
Base-Base interactions energy: -43.160
where: short stacking energy: -43.160
Base-Backbone interact. energy: -0.036
local terms energy: -65.779639
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -8.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -98.127048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.127048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.127048 (E_RNA)
where:
Base-Base interactions energy: -32.482
where: short stacking energy: -18.674
Base-Backbone interact. energy: -0.159
local terms energy: -65.485827
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: 5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -99.517101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.517101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.517101 (E_RNA)
where:
Base-Base interactions energy: -31.594
where: short stacking energy: -24.220
Base-Backbone interact. energy: -0.278
local terms energy: -67.644957
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: 0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -248.697568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.697568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.697568 (E_RNA)
where:
Base-Base interactions energy: -137.161
where: short stacking energy: -92.896
Base-Backbone interact. energy: -0.456
local terms energy: -111.080341
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -25.187
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: 115
Temperature: 0.950000
Total energy: -194.217024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.217024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.217024 (E_RNA)
where:
Base-Base interactions energy: -108.567
where: short stacking energy: -82.091
Base-Backbone interact. energy: -0.085
local terms energy: -85.565361
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -202.128132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.128132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.128132 (E_RNA)
where:
Base-Base interactions energy: -106.314
where: short stacking energy: -61.175
Base-Backbone interact. energy: -0.039
local terms energy: -95.774519
where:
bonds (distance) C4'-P energy: -20.484
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -195.713492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.713492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.713492 (E_RNA)
where:
Base-Base interactions energy: -103.525
where: short stacking energy: -66.441
Base-Backbone interact. energy: 0.772
local terms energy: -92.960099
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -19.065
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: 115
Temperature: 1.100000
Total energy: -166.375207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.375207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.375207 (E_RNA)
where:
Base-Base interactions energy: -83.319
where: short stacking energy: -58.483
Base-Backbone interact. energy: -0.228
local terms energy: -82.828569
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -20.249
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -126.594974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.594974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.594974 (E_RNA)
where:
Base-Base interactions energy: -52.140
where: short stacking energy: -52.115
Base-Backbone interact. energy: 2.056
local terms energy: -76.511533
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -17.211
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -12.279
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: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -122.284159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.284159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.284159 (E_RNA)
where:
Base-Base interactions energy: -51.597
where: short stacking energy: -39.028
Base-Backbone interact. energy: 0.143
local terms energy: -70.830638
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -10.619
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: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -108.070045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.070045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.070045 (E_RNA)
where:
Base-Base interactions energy: -47.266
where: short stacking energy: -47.266
Base-Backbone interact. energy: -0.148
local terms energy: -60.656404
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -123.759716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.759716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.759716 (E_RNA)
where:
Base-Base interactions energy: -50.257
where: short stacking energy: -50.257
Base-Backbone interact. energy: 0.204
local terms energy: -73.706214
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -10.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -102.103606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.103606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.103606 (E_RNA)
where:
Base-Base interactions energy: -36.155
where: short stacking energy: -36.155
Base-Backbone interact. energy: 0.993
local terms energy: -66.941336
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -211.638061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.638061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.638061 (E_RNA)
where:
Base-Base interactions energy: -112.017
where: short stacking energy: -87.758
Base-Backbone interact. energy: -0.015
local terms energy: -99.605774
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -247.338455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.338455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.338455 (E_RNA)
where:
Base-Base interactions energy: -142.611
where: short stacking energy: -95.951
Base-Backbone interact. energy: -0.033
local terms energy: -104.694050
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: -26.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -210.781368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.781368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.781368 (E_RNA)
where:
Base-Base interactions energy: -124.397
where: short stacking energy: -73.372
Base-Backbone interact. energy: -0.024
local terms energy: -86.360245
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -13.754
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: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -205.777253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.777253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.777253 (E_RNA)
where:
Base-Base interactions energy: -109.485
where: short stacking energy: -74.544
Base-Backbone interact. energy: -0.084
local terms energy: -96.208804
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -22.945
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -21.693
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: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -130.836336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.836336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.836336 (E_RNA)
where:
Base-Base interactions energy: -50.744
where: short stacking energy: -48.622
Base-Backbone interact. energy: -0.225
local terms energy: -79.867579
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -24.498
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -137.290970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.290970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.290970 (E_RNA)
where:
Base-Base interactions energy: -58.106
where: short stacking energy: -58.106
Base-Backbone interact. energy: -0.180
local terms energy: -79.004396
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -7.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -136.162702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.162702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.162702 (E_RNA)
where:
Base-Base interactions energy: -70.004
where: short stacking energy: -36.384
Base-Backbone interact. energy: -0.476
local terms energy: -65.682859
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -4.689
tors. eta vs tors. theta energy: -7.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -106.271936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.271936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.271936 (E_RNA)
where:
Base-Base interactions energy: -31.054
where: short stacking energy: -31.054
Base-Backbone interact. energy: -0.113
local terms energy: -75.104038
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -11.688
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: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -122.985887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.985887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.985887 (E_RNA)
where:
Base-Base interactions energy: -45.183
where: short stacking energy: -45.183
Base-Backbone interact. energy: -0.003
local terms energy: -77.800128
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -8.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -110.415725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.415725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.415725 (E_RNA)
where:
Base-Base interactions energy: -48.055
where: short stacking energy: -47.555
Base-Backbone interact. energy: 0.283
local terms energy: -62.643378
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -208.452814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.452814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.452814 (E_RNA)
where:
Base-Base interactions energy: -109.455
where: short stacking energy: -65.195
Base-Backbone interact. energy: 0.516
local terms energy: -99.513592
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -24.717
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -223.888655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.888655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.888655 (E_RNA)
where:
Base-Base interactions energy: -126.609
where: short stacking energy: -73.212
Base-Backbone interact. energy: -0.100
local terms energy: -97.180355
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -20.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -230.964546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.964546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.964546 (E_RNA)
where:
Base-Base interactions energy: -126.835
where: short stacking energy: -79.621
Base-Backbone interact. energy: 0.146
local terms energy: -104.274918
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: -25.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -221.172078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.172078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.172078 (E_RNA)
where:
Base-Base interactions energy: -122.678
where: short stacking energy: -75.418
Base-Backbone interact. energy: -0.202
local terms energy: -98.292085
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -113.244469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.244469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.244469 (E_RNA)
where:
Base-Base interactions energy: -53.625
where: short stacking energy: -35.512
Base-Backbone interact. energy: 0.112
local terms energy: -59.731447
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -170.949687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.949687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.949687 (E_RNA)
where:
Base-Base interactions energy: -91.771
where: short stacking energy: -55.538
Base-Backbone interact. energy: -0.172
local terms energy: -79.006669
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -127.901523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.901523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.901523 (E_RNA)
where:
Base-Base interactions energy: -60.777
where: short stacking energy: -61.119
Base-Backbone interact. energy: -0.044
local terms energy: -67.081423
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -113.380557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.380557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.380557 (E_RNA)
where:
Base-Base interactions energy: -52.006
where: short stacking energy: -41.351
Base-Backbone interact. energy: 1.272
local terms energy: -62.646794
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -108.575532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.575532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.575532 (E_RNA)
where:
Base-Base interactions energy: -42.298
where: short stacking energy: -33.928
Base-Backbone interact. energy: -0.044
local terms energy: -66.233716
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -98.344376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.344376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.344376 (E_RNA)
where:
Base-Base interactions energy: -31.157
where: short stacking energy: -31.157
Base-Backbone interact. energy: -0.065
local terms energy: -67.121736
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -259.331875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.331875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.331875 (E_RNA)
where:
Base-Base interactions energy: -149.165
where: short stacking energy: -92.424
Base-Backbone interact. energy: -0.004
local terms energy: -110.163271
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -27.437
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: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -198.177313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.177313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.177313 (E_RNA)
where:
Base-Base interactions energy: -102.563
where: short stacking energy: -74.958
Base-Backbone interact. energy: -0.009
local terms energy: -95.605435
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -20.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -212.753808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.753808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.753808 (E_RNA)
where:
Base-Base interactions energy: -116.950
where: short stacking energy: -71.299
Base-Backbone interact. energy: -0.163
local terms energy: -95.640048
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -24.735
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -210.632590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.632590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.632590 (E_RNA)
where:
Base-Base interactions energy: -110.630
where: short stacking energy: -70.354
Base-Backbone interact. energy: -0.123
local terms energy: -99.879100
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -139.647013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.647013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.647013 (E_RNA)
where:
Base-Base interactions energy: -61.629
where: short stacking energy: -54.895
Base-Backbone interact. energy: -0.012
local terms energy: -78.006074
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -9.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -115.370611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.370611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.370611 (E_RNA)
where:
Base-Base interactions energy: -39.877
where: short stacking energy: -39.877
Base-Backbone interact. energy: 0.942
local terms energy: -76.434771
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -9.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -129.382852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.382852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.382852 (E_RNA)
where:
Base-Base interactions energy: -56.682
where: short stacking energy: -56.682
Base-Backbone interact. energy: -0.025
local terms energy: -72.676574
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -13.574
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: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -116.404535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.404535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.404535 (E_RNA)
where:
Base-Base interactions energy: -39.901
where: short stacking energy: -39.901
Base-Backbone interact. energy: -0.084
local terms energy: -76.419744
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -19.859
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -9.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -103.168360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.168360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.168360 (E_RNA)
where:
Base-Base interactions energy: -37.632
where: short stacking energy: -37.632
Base-Backbone interact. energy: 0.076
local terms energy: -65.611590
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -91.158892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.158892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.158892 (E_RNA)
where:
Base-Base interactions energy: -27.055
where: short stacking energy: -27.055
Base-Backbone interact. energy: -0.198
local terms energy: -63.905942
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -262.143527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.143527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.143527 (E_RNA)
where:
Base-Base interactions energy: -153.136
where: short stacking energy: -104.086
Base-Backbone interact. energy: -0.017
local terms energy: -108.990704
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -30.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -202.394779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.394779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.394779 (E_RNA)
where:
Base-Base interactions energy: -108.830
where: short stacking energy: -81.041
Base-Backbone interact. energy: -0.035
local terms energy: -93.529799
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -23.366
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: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -214.044297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.044297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.044297 (E_RNA)
where:
Base-Base interactions energy: -117.872
where: short stacking energy: -61.188
Base-Backbone interact. energy: -0.223
local terms energy: -95.950110
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -17.890
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: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -211.979270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.979270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.979270 (E_RNA)
where:
Base-Base interactions energy: -116.191
where: short stacking energy: -71.914
Base-Backbone interact. energy: -0.898
local terms energy: -94.890601
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -21.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -140.674313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.674313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.674313 (E_RNA)
where:
Base-Base interactions energy: -61.983
where: short stacking energy: -60.391
Base-Backbone interact. energy: -0.098
local terms energy: -78.592801
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -11.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -117.125295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.125295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.125295 (E_RNA)
where:
Base-Base interactions energy: -42.678
where: short stacking energy: -42.678
Base-Backbone interact. energy: -0.222
local terms energy: -74.225949
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -3.276
tors. eta vs tors. theta energy: -8.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -116.621021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.621021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.621021 (E_RNA)
where:
Base-Base interactions energy: -41.690
where: short stacking energy: -37.570
Base-Backbone interact. energy: -0.359
local terms energy: -74.572494
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -22.677
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -131.225482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.225482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.225482 (E_RNA)
where:
Base-Base interactions energy: -55.590
where: short stacking energy: -55.590
Base-Backbone interact. energy: -0.301
local terms energy: -75.334941
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -92.025642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.025642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.025642 (E_RNA)
where:
Base-Base interactions energy: -26.079
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.163
local terms energy: -65.783190
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: 2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -111.012037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.012037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.012037 (E_RNA)
where:
Base-Base interactions energy: -41.476
where: short stacking energy: -30.955
Base-Backbone interact. energy: -0.258
local terms energy: -69.278679
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -242.234782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.234782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.234782 (E_RNA)
where:
Base-Base interactions energy: -149.024
where: short stacking energy: -100.057
Base-Backbone interact. energy: -0.075
local terms energy: -93.135842
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -20.497
flat angles C4'-P-C4' energy: -23.912
flat angles P-C4'-P energy: -9.728
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: 2, replica: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -199.797195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.797195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.797195 (E_RNA)
where:
Base-Base interactions energy: -111.625
where: short stacking energy: -76.895
Base-Backbone interact. energy: -0.169
local terms energy: -88.003105
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -18.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -219.921214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.921214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.921214 (E_RNA)
where:
Base-Base interactions energy: -127.045
where: short stacking energy: -70.578
Base-Backbone interact. energy: -0.152
local terms energy: -92.724125
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -196.991439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.991439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.991439 (E_RNA)
where:
Base-Base interactions energy: -106.976
where: short stacking energy: -60.982
Base-Backbone interact. energy: -0.582
local terms energy: -89.434139
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -13.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -142.843724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.843724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.843724 (E_RNA)
where:
Base-Base interactions energy: -62.279
where: short stacking energy: -62.279
Base-Backbone interact. energy: -0.162
local terms energy: -80.403342
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -124.582156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.582156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.582156 (E_RNA)
where:
Base-Base interactions energy: -51.831
where: short stacking energy: -51.831
Base-Backbone interact. energy: -0.178
local terms energy: -72.573307
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -24.448
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -124.672606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.672606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.672606 (E_RNA)
where:
Base-Base interactions energy: -49.053
where: short stacking energy: -46.287
Base-Backbone interact. energy: 0.370
local terms energy: -75.988915
where:
bonds (distance) C4'-P energy: -24.955
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -6.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -117.006937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.006937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.006937 (E_RNA)
where:
Base-Base interactions energy: -41.941
where: short stacking energy: -41.941
Base-Backbone interact. energy: -0.664
local terms energy: -74.401377
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -9.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -92.044395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.044395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.044395 (E_RNA)
where:
Base-Base interactions energy: -35.856
where: short stacking energy: -27.047
Base-Backbone interact. energy: -0.217
local terms energy: -55.971526
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: 3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -102.909264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.909264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.909264 (E_RNA)
where:
Base-Base interactions energy: -34.557
where: short stacking energy: -32.497
Base-Backbone interact. energy: -0.388
local terms energy: -67.963834
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -1.453
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: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -260.184393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.184393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.184393 (E_RNA)
where:
Base-Base interactions energy: -157.268
where: short stacking energy: -95.141
Base-Backbone interact. energy: -0.601
local terms energy: -102.315184
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -27.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -240.729455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.729455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.729455 (E_RNA)
where:
Base-Base interactions energy: -136.142
where: short stacking energy: -92.984
Base-Backbone interact. energy: -0.013
local terms energy: -104.575233
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -28.206
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: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -197.670908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.670908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.670908 (E_RNA)
where:
Base-Base interactions energy: -102.416
where: short stacking energy: -77.130
Base-Backbone interact. energy: -0.122
local terms energy: -95.132478
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -20.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -206.984161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.984161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.984161 (E_RNA)
where:
Base-Base interactions energy: -117.082
where: short stacking energy: -71.052
Base-Backbone interact. energy: -0.065
local terms energy: -89.836771
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -22.439
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -132.357173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.357173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.357173 (E_RNA)
where:
Base-Base interactions energy: -49.809
where: short stacking energy: -49.737
Base-Backbone interact. energy: -0.709
local terms energy: -81.838933
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -8.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -145.419148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.419148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.419148 (E_RNA)
where:
Base-Base interactions energy: -67.223
where: short stacking energy: -55.015
Base-Backbone interact. energy: -0.077
local terms energy: -78.118412
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -132.213755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.213755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.213755 (E_RNA)
where:
Base-Base interactions energy: -57.225
where: short stacking energy: -47.651
Base-Backbone interact. energy: -0.240
local terms energy: -74.749552
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -22.615
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -103.165699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.165699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.165699 (E_RNA)
where:
Base-Base interactions energy: -38.668
where: short stacking energy: -38.635
Base-Backbone interact. energy: 0.379
local terms energy: -64.876835
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -99.551232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.551232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.551232 (E_RNA)
where:
Base-Base interactions energy: -36.314
where: short stacking energy: -35.031
Base-Backbone interact. energy: -0.422
local terms energy: -62.814845
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: 0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -93.820404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.820404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.820404 (E_RNA)
where:
Base-Base interactions energy: -25.052
where: short stacking energy: -18.970
Base-Backbone interact. energy: -0.294
local terms energy: -68.474627
where:
bonds (distance) C4'-P energy: -22.724
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: 0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -278.177701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.177701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.177701 (E_RNA)
where:
Base-Base interactions energy: -167.969
where: short stacking energy: -101.584
Base-Backbone interact. energy: 0.906
local terms energy: -111.115089
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -30.146
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: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -243.162483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.162483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.162483 (E_RNA)
where:
Base-Base interactions energy: -139.397
where: short stacking energy: -96.584
Base-Backbone interact. energy: -0.027
local terms energy: -103.738167
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -22.433
flat angles P-C4'-P energy: -19.700
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: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -209.377298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.377298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.377298 (E_RNA)
where:
Base-Base interactions energy: -112.285
where: short stacking energy: -79.449
Base-Backbone interact. energy: -0.137
local terms energy: -96.954828
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -202.965251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.965251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.965251 (E_RNA)
where:
Base-Base interactions energy: -118.015
where: short stacking energy: -72.812
Base-Backbone interact. energy: -0.111
local terms energy: -84.838767
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -122.068978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.068978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.068978 (E_RNA)
where:
Base-Base interactions energy: -38.971
where: short stacking energy: -38.899
Base-Backbone interact. energy: -0.308
local terms energy: -82.789539
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -7.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -133.292878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.292878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.292878 (E_RNA)
where:
Base-Base interactions energy: -52.657
where: short stacking energy: -53.857
Base-Backbone interact. energy: -0.148
local terms energy: -80.488166
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -13.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -117.455591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.455591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.455591 (E_RNA)
where:
Base-Base interactions energy: -47.212
where: short stacking energy: -35.368
Base-Backbone interact. energy: -0.232
local terms energy: -70.011723
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: 0.398
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: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -108.203693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.203693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.203693 (E_RNA)
where:
Base-Base interactions energy: -39.417
where: short stacking energy: -38.330
Base-Backbone interact. energy: -0.722
local terms energy: -68.064580
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -110.791556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.791556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.791556 (E_RNA)
where:
Base-Base interactions energy: -42.165
where: short stacking energy: -33.703
Base-Backbone interact. energy: -0.501
local terms energy: -68.125874
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -97.999543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.999543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.999543 (E_RNA)
where:
Base-Base interactions energy: -34.634
where: short stacking energy: -34.634
Base-Backbone interact. energy: -0.381
local terms energy: -62.984053
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -280.031692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.031692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.031692 (E_RNA)
where:
Base-Base interactions energy: -173.107
where: short stacking energy: -100.738
Base-Backbone interact. energy: -0.034
local terms energy: -106.890912
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -29.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -216.146774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.146774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.146774 (E_RNA)
where:
Base-Base interactions energy: -123.904
where: short stacking energy: -74.289
Base-Backbone interact. energy: -0.041
local terms energy: -92.201791
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -24.625
flat angles P-C4'-P energy: -7.886
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: 3, replica: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -218.319857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.319857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.319857 (E_RNA)
where:
Base-Base interactions energy: -124.584
where: short stacking energy: -69.496
Base-Backbone interact. energy: -0.368
local terms energy: -93.368004
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -20.960
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -225.279249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.279249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.279249 (E_RNA)
where:
Base-Base interactions energy: -126.038
where: short stacking energy: -82.357
Base-Backbone interact. energy: -0.096
local terms energy: -99.145644
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -22.576
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -24.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -163.913875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.913875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.913875 (E_RNA)
where:
Base-Base interactions energy: -81.797
where: short stacking energy: -60.510
Base-Backbone interact. energy: -0.225
local terms energy: -81.892075
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -116.106906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.106906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.106906 (E_RNA)
where:
Base-Base interactions energy: -39.707
where: short stacking energy: -31.932
Base-Backbone interact. energy: -0.026
local terms energy: -76.373799
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -21.895
flat angles P-C4'-P energy: -15.968
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: 7, replica: 1
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -117.944868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.944868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.944868 (E_RNA)
where:
Base-Base interactions energy: -42.606
where: short stacking energy: -44.306
Base-Backbone interact. energy: -0.190
local terms energy: -75.148561
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -12.368
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: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -110.875125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.875125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.875125 (E_RNA)
where:
Base-Base interactions energy: -37.225
where: short stacking energy: -35.999
Base-Backbone interact. energy: 1.163
local terms energy: -74.813348
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -120.249481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.249481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.249481 (E_RNA)
where:
Base-Base interactions energy: -43.039
where: short stacking energy: -43.039
Base-Backbone interact. energy: 0.100
local terms energy: -77.309919
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -101.834278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.834278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.834278 (E_RNA)
where:
Base-Base interactions energy: -30.745
where: short stacking energy: -29.264
Base-Backbone interact. energy: 0.517
local terms energy: -71.606664
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -283.728509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.728509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.728509 (E_RNA)
where:
Base-Base interactions energy: -166.141
where: short stacking energy: -98.083
Base-Backbone interact. energy: -0.080
local terms energy: -117.507816
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -25.186
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -33.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -207.376981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.376981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.376981 (E_RNA)
where:
Base-Base interactions energy: -113.510
where: short stacking energy: -73.576
Base-Backbone interact. energy: -0.013
local terms energy: -93.854408
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -19.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -225.685195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.685195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.685195 (E_RNA)
where:
Base-Base interactions energy: -132.394
where: short stacking energy: -80.438
Base-Backbone interact. energy: -0.083
local terms energy: -93.208121
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -2.942
tors. eta vs tors. theta energy: -24.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -204.871007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.871007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.871007 (E_RNA)
where:
Base-Base interactions energy: -116.108
where: short stacking energy: -66.745
Base-Backbone interact. energy: 0.996
local terms energy: -89.758382
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -21.400
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -11.487
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: 5, replica: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -177.303624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.303624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.303624 (E_RNA)
where:
Base-Base interactions energy: -93.103
where: short stacking energy: -49.652
Base-Backbone interact. energy: -0.410
local terms energy: -83.791018
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -22.294
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -9.632
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: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -131.703730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.703730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.703730 (E_RNA)
where:
Base-Base interactions energy: -51.279
where: short stacking energy: -40.531
Base-Backbone interact. energy: -0.155
local terms energy: -80.269377
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -110.594813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.594813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.594813 (E_RNA)
where:
Base-Base interactions energy: -35.774
where: short stacking energy: -35.019
Base-Backbone interact. energy: -1.662
local terms energy: -73.158947
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -150.726684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.726684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.726684 (E_RNA)
where:
Base-Base interactions energy: -65.283
where: short stacking energy: -49.081
Base-Backbone interact. energy: -0.388
local terms energy: -85.055535
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -23.255
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -112.846734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.846734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.846734 (E_RNA)
where:
Base-Base interactions energy: -41.465
where: short stacking energy: -38.218
Base-Backbone interact. energy: -0.025
local terms energy: -71.356864
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -6.073
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: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -104.691132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.691132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.691132 (E_RNA)
where:
Base-Base interactions energy: -31.903
where: short stacking energy: -25.165
Base-Backbone interact. energy: 0.316
local terms energy: -73.103424
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -3.579
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: 125
Temperature: 0.900000
Total energy: -287.571488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.571488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.571488 (E_RNA)
where:
Base-Base interactions energy: -173.122
where: short stacking energy: -103.128
Base-Backbone interact. energy: -0.010
local terms energy: -114.440070
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -17.662
tors. eta vs tors. theta energy: -32.618
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: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -250.050469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.050469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.050469 (E_RNA)
where:
Base-Base interactions energy: -137.851
where: short stacking energy: -91.855
Base-Backbone interact. energy: -0.013
local terms energy: -112.185902
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -27.257
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: 3, replica: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -224.720582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.720582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.720582 (E_RNA)
where:
Base-Base interactions energy: -130.662
where: short stacking energy: -78.086
Base-Backbone interact. energy: -0.099
local terms energy: -93.960427
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -21.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -172.206595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.206595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.206595 (E_RNA)
where:
Base-Base interactions energy: -91.250
where: short stacking energy: -68.277
Base-Backbone interact. energy: -0.485
local terms energy: -80.471197
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -16.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -193.019521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.019521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.019521 (E_RNA)
where:
Base-Base interactions energy: -107.728
where: short stacking energy: -72.741
Base-Backbone interact. energy: -0.181
local terms energy: -85.110478
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -136.305982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.305982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.305982 (E_RNA)
where:
Base-Base interactions energy: -54.213
where: short stacking energy: -41.895
Base-Backbone interact. energy: -0.280
local terms energy: -81.813162
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -8.751
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -14.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -121.237872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.237872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.237872 (E_RNA)
where:
Base-Base interactions energy: -55.115
where: short stacking energy: -34.716
Base-Backbone interact. energy: -0.972
local terms energy: -65.150655
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -11.068
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: 8, replica: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -113.319355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.319355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.319355 (E_RNA)
where:
Base-Base interactions energy: -32.209
where: short stacking energy: -32.018
Base-Backbone interact. energy: -0.368
local terms energy: -80.742613
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -8.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -102.455168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.455168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.455168 (E_RNA)
where:
Base-Base interactions energy: -38.039
where: short stacking energy: -33.327
Base-Backbone interact. energy: -0.377
local terms energy: -64.038724
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -100.816147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.816147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.816147 (E_RNA)
where:
Base-Base interactions energy: -38.576
where: short stacking energy: -38.576
Base-Backbone interact. energy: -0.122
local terms energy: -62.117861
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -281.941077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.941077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.941077 (E_RNA)
where:
Base-Base interactions energy: -177.346
where: short stacking energy: -101.777
Base-Backbone interact. energy: -0.003
local terms energy: -104.592119
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -24.395
flat angles P-C4'-P energy: -9.494
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: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -239.137874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.137874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.137874 (E_RNA)
where:
Base-Base interactions energy: -139.331
where: short stacking energy: -98.522
Base-Backbone interact. energy: -0.006
local terms energy: -99.800880
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -27.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -211.671084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.671084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.671084 (E_RNA)
where:
Base-Base interactions energy: -120.485
where: short stacking energy: -74.932
Base-Backbone interact. energy: -0.203
local terms energy: -90.983706
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -24.660
flat angles P-C4'-P energy: -3.649
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -210.184997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.184997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.184997 (E_RNA)
where:
Base-Base interactions energy: -116.177
where: short stacking energy: -78.764
Base-Backbone interact. energy: -0.142
local terms energy: -93.865615
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -20.379
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: 126
Temperature: 1.100000
Total energy: -180.196214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.196214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.196214 (E_RNA)
where:
Base-Base interactions energy: -93.447
where: short stacking energy: -59.622
Base-Backbone interact. energy: -0.170
local terms energy: -86.579411
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -149.434263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.434263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.434263 (E_RNA)
where:
Base-Base interactions energy: -76.164
where: short stacking energy: -46.711
Base-Backbone interact. energy: 2.258
local terms energy: -75.528687
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -11.422
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: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -119.105420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.105420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.105420 (E_RNA)
where:
Base-Base interactions energy: -44.016
where: short stacking energy: -44.016
Base-Backbone interact. energy: -0.219
local terms energy: -74.869896
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -120.684327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.684327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.684327 (E_RNA)
where:
Base-Base interactions energy: -34.902
where: short stacking energy: -34.902
Base-Backbone interact. energy: -0.174
local terms energy: -85.608662
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -115.547588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.547588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.547588 (E_RNA)
where:
Base-Base interactions energy: -58.165
where: short stacking energy: -34.112
Base-Backbone interact. energy: 0.650
local terms energy: -58.032681
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -98.223544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.223544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.223544 (E_RNA)
where:
Base-Base interactions energy: -31.876
where: short stacking energy: -24.842
Base-Backbone interact. energy: 0.316
local terms energy: -66.663021
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: 0.369
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: 127
Temperature: 0.900000
Total energy: -275.950032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.950032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.950032 (E_RNA)
where:
Base-Base interactions energy: -172.674
where: short stacking energy: -99.777
Base-Backbone interact. energy: -0.087
local terms energy: -103.189201
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -28.177
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: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -246.862453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.862453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.862453 (E_RNA)
where:
Base-Base interactions energy: -142.097
where: short stacking energy: -97.068
Base-Backbone interact. energy: -0.000
local terms energy: -104.765025
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -28.302
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: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -213.017831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.017831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.017831 (E_RNA)
where:
Base-Base interactions energy: -116.250
where: short stacking energy: -67.544
Base-Backbone interact. energy: -0.192
local terms energy: -96.575992
where:
bonds (distance) C4'-P energy: -22.695
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -19.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -185.256106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.256106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.256106 (E_RNA)
where:
Base-Base interactions energy: -93.497
where: short stacking energy: -54.203
Base-Backbone interact. energy: -0.356
local terms energy: -91.403487
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -25.555
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -14.398
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: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -183.538048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.538048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.538048 (E_RNA)
where:
Base-Base interactions energy: -100.227
where: short stacking energy: -68.488
Base-Backbone interact. energy: -0.134
local terms energy: -83.177182
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -9.993
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: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -135.744313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.744313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.744313 (E_RNA)
where:
Base-Base interactions energy: -48.307
where: short stacking energy: -48.307
Base-Backbone interact. energy: -0.370
local terms energy: -87.067893
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -127.004140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.004140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.004140 (E_RNA)
where:
Base-Base interactions energy: -47.086
where: short stacking energy: -43.307
Base-Backbone interact. energy: -0.247
local terms energy: -79.670722
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -11.694
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: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -113.179747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.179747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.179747 (E_RNA)
where:
Base-Base interactions energy: -40.550
where: short stacking energy: -40.550
Base-Backbone interact. energy: 0.623
local terms energy: -73.252594
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -8.405
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: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -114.124558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.124558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.124558 (E_RNA)
where:
Base-Base interactions energy: -37.247
where: short stacking energy: -37.247
Base-Backbone interact. energy: -0.407
local terms energy: -76.470089
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -12.439
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: 127
Temperature: 1.350000
Total energy: -87.954817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.954817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.954817 (E_RNA)
where:
Base-Base interactions energy: -27.765
where: short stacking energy: -26.084
Base-Backbone interact. energy: -0.262
local terms energy: -59.927930
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -11.751
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: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -273.947729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.947729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.947729 (E_RNA)
where:
Base-Base interactions energy: -165.818
where: short stacking energy: -101.922
Base-Backbone interact. energy: -0.003
local terms energy: -108.126379
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -32.459
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: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -263.792176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.792176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.792176 (E_RNA)
where:
Base-Base interactions energy: -156.753
where: short stacking energy: -96.325
Base-Backbone interact. energy: -0.082
local terms energy: -106.957961
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -30.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -192.705909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.705909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.705909 (E_RNA)
where:
Base-Base interactions energy: -101.994
where: short stacking energy: -77.792
Base-Backbone interact. energy: -0.092
local terms energy: -90.619918
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -181.886011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.886011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.886011 (E_RNA)
where:
Base-Base interactions energy: -93.376
where: short stacking energy: -55.333
Base-Backbone interact. energy: -0.148
local terms energy: -88.362087
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -12.229
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: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -168.311677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.311677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.311677 (E_RNA)
where:
Base-Base interactions energy: -83.731
where: short stacking energy: -76.007
Base-Backbone interact. energy: -0.113
local terms energy: -84.468232
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -151.144004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.144004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.144004 (E_RNA)
where:
Base-Base interactions energy: -53.342
where: short stacking energy: -52.333
Base-Backbone interact. energy: -0.004
local terms energy: -97.797852
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -26.176
flat angles P-C4'-P energy: -14.427
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: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -127.395890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.395890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.395890 (E_RNA)
where:
Base-Base interactions energy: -48.532
where: short stacking energy: -44.541
Base-Backbone interact. energy: -0.401
local terms energy: -78.462985
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -8.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -105.957160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.957160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.957160 (E_RNA)
where:
Base-Base interactions energy: -40.585
where: short stacking energy: -33.503
Base-Backbone interact. energy: -0.176
local terms energy: -65.196128
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -117.858508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.858508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.858508 (E_RNA)
where:
Base-Base interactions energy: -41.135
where: short stacking energy: -41.135
Base-Backbone interact. energy: -0.101
local terms energy: -76.622275
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -104.905853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.905853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.905853 (E_RNA)
where:
Base-Base interactions energy: -38.301
where: short stacking energy: -24.317
Base-Backbone interact. energy: -0.156
local terms energy: -66.449491
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -23.777
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -289.742349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.742349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.742349 (E_RNA)
where:
Base-Base interactions energy: -177.274
where: short stacking energy: -105.234
Base-Backbone interact. energy: -0.005
local terms energy: -112.463324
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -23.937
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -33.245
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: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -264.102317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.102317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.102317 (E_RNA)
where:
Base-Base interactions energy: -148.434
where: short stacking energy: -101.420
Base-Backbone interact. energy: -0.017
local terms energy: -115.652003
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -22.249
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -33.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -217.321924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.321924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.321924 (E_RNA)
where:
Base-Base interactions energy: -109.161
where: short stacking energy: -70.520
Base-Backbone interact. energy: -0.230
local terms energy: -107.930364
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -25.132
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -17.444
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: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -205.573844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.573844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.573844 (E_RNA)
where:
Base-Base interactions energy: -105.345
where: short stacking energy: -67.079
Base-Backbone interact. energy: -0.320
local terms energy: -99.908554
where:
bonds (distance) C4'-P energy: -22.718
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -138.228148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.228148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.228148 (E_RNA)
where:
Base-Base interactions energy: -59.557
where: short stacking energy: -43.298
Base-Backbone interact. energy: -1.106
local terms energy: -77.565134
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -24.771
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -10.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -131.803546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.803546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.803546 (E_RNA)
where:
Base-Base interactions energy: -51.159
where: short stacking energy: -48.329
Base-Backbone interact. energy: -0.059
local terms energy: -80.585200
where:
bonds (distance) C4'-P energy: -22.485
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -10.727
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: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -116.334848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.334848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.334848 (E_RNA)
where:
Base-Base interactions energy: -47.112
where: short stacking energy: -44.491
Base-Backbone interact. energy: -0.190
local terms energy: -69.033433
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -9.689
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: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -109.908085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.908085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.908085 (E_RNA)
where:
Base-Base interactions energy: -33.345
where: short stacking energy: -33.345
Base-Backbone interact. energy: -0.083
local terms energy: -76.480353
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -104.732917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.732917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.732917 (E_RNA)
where:
Base-Base interactions energy: -30.682
where: short stacking energy: -30.682
Base-Backbone interact. energy: 0.152
local terms energy: -74.203061
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -16.148
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: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -110.208992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.208992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.208992 (E_RNA)
where:
Base-Base interactions energy: -41.664
where: short stacking energy: -41.664
Base-Backbone interact. energy: -0.035
local terms energy: -68.510377
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -9.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -279.105885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.105885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.105885 (E_RNA)
where:
Base-Base interactions energy: -165.874
where: short stacking energy: -98.041
Base-Backbone interact. energy: -0.042
local terms energy: -113.189462
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -31.395
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: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -250.586889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.586889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.586889 (E_RNA)
where:
Base-Base interactions energy: -145.813
where: short stacking energy: -90.081
Base-Backbone interact. energy: -0.111
local terms energy: -104.662511
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -21.806
flat angles P-C4'-P energy: -18.332
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: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -191.565276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.565276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.565276 (E_RNA)
where:
Base-Base interactions energy: -96.300
where: short stacking energy: -75.325
Base-Backbone interact. energy: -0.089
local terms energy: -95.176228
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -204.917255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.917255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.917255 (E_RNA)
where:
Base-Base interactions energy: -125.152
where: short stacking energy: -73.127
Base-Backbone interact. energy: 0.146
local terms energy: -79.910794
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -19.714
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: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -132.353889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.353889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.353889 (E_RNA)
where:
Base-Base interactions energy: -48.130
where: short stacking energy: -48.130
Base-Backbone interact. energy: -0.188
local terms energy: -84.036429
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -9.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -125.145461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.145461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.145461 (E_RNA)
where:
Base-Base interactions energy: -50.355
where: short stacking energy: -40.422
Base-Backbone interact. energy: -0.200
local terms energy: -74.589661
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -117.620556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.620556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.620556 (E_RNA)
where:
Base-Base interactions energy: -41.359
where: short stacking energy: -41.359
Base-Backbone interact. energy: -0.063
local terms energy: -76.198905
where:
bonds (distance) C4'-P energy: -23.176
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -9.053
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -110.150104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.150104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.150104 (E_RNA)
where:
Base-Base interactions energy: -43.400
where: short stacking energy: -43.400
Base-Backbone interact. energy: -0.170
local terms energy: -66.580583
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -5.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -95.521740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.521740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.521740 (E_RNA)
where:
Base-Base interactions energy: -28.813
where: short stacking energy: -28.813
Base-Backbone interact. energy: -0.123
local terms energy: -66.586026
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -98.433995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.433995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.433995 (E_RNA)
where:
Base-Base interactions energy: -35.600
where: short stacking energy: -34.453
Base-Backbone interact. energy: -0.438
local terms energy: -62.396421
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -22.898
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -286.572472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.572472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.572472 (E_RNA)
where:
Base-Base interactions energy: -179.412
where: short stacking energy: -99.648
Base-Backbone interact. energy: -0.016
local terms energy: -107.144411
where:
bonds (distance) C4'-P energy: -22.162
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -28.075
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: 131
Temperature: 0.950000
Total energy: -202.201826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.201826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.201826 (E_RNA)
where:
Base-Base interactions energy: -100.963
where: short stacking energy: -73.064
Base-Backbone interact. energy: -0.067
local terms energy: -101.172240
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -217.445707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.445707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.445707 (E_RNA)
where:
Base-Base interactions energy: -118.592
where: short stacking energy: -65.887
Base-Backbone interact. energy: -0.103
local terms energy: -98.750925
where:
bonds (distance) C4'-P energy: -22.601
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -17.326
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -206.378491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.378491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.378491 (E_RNA)
where:
Base-Base interactions energy: -119.841
where: short stacking energy: -66.098
Base-Backbone interact. energy: -0.064
local terms energy: -86.473311
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -13.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -133.586601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.586601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.586601 (E_RNA)
where:
Base-Base interactions energy: -47.719
where: short stacking energy: -43.357
Base-Backbone interact. energy: -0.172
local terms energy: -85.695450
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -7.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -122.186790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.186790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.186790 (E_RNA)
where:
Base-Base interactions energy: -44.261
where: short stacking energy: -43.445
Base-Backbone interact. energy: 0.756
local terms energy: -78.681800
where:
bonds (distance) C4'-P energy: -24.416
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -6.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -126.964510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.964510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.964510 (E_RNA)
where:
Base-Base interactions energy: -53.724
where: short stacking energy: -34.277
Base-Backbone interact. energy: -0.899
local terms energy: -72.341793
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -114.851074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.851074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.851074 (E_RNA)
where:
Base-Base interactions energy: -58.618
where: short stacking energy: -37.960
Base-Backbone interact. energy: 1.475
local terms energy: -57.708139
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: 0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -93.869338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.869338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.869338 (E_RNA)
where:
Base-Base interactions energy: -25.855
where: short stacking energy: -24.903
Base-Backbone interact. energy: -0.153
local terms energy: -67.861545
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: 1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -110.838259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.838259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.838259 (E_RNA)
where:
Base-Base interactions energy: -43.852
where: short stacking energy: -32.117
Base-Backbone interact. energy: -0.080
local terms energy: -66.905939
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -1.420
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: 132
Temperature: 0.900000
Total energy: -286.504852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.504852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.504852 (E_RNA)
where:
Base-Base interactions energy: -180.158
where: short stacking energy: -105.793
Base-Backbone interact. energy: -0.048
local terms energy: -106.298621
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -30.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -206.238273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.238273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.238273 (E_RNA)
where:
Base-Base interactions energy: -113.459
where: short stacking energy: -83.994
Base-Backbone interact. energy: -0.093
local terms energy: -92.686116
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -229.636796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.636796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.636796 (E_RNA)
where:
Base-Base interactions energy: -129.038
where: short stacking energy: -86.824
Base-Backbone interact. energy: -0.281
local terms energy: -100.318465
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -20.256
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: 4
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -212.503546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.503546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.503546 (E_RNA)
where:
Base-Base interactions energy: -116.569
where: short stacking energy: -76.994
Base-Backbone interact. energy: -0.063
local terms energy: -95.871983
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -24.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -134.834531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.834531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.834531 (E_RNA)
where:
Base-Base interactions energy: -58.904
where: short stacking energy: -54.844
Base-Backbone interact. energy: -0.038
local terms energy: -75.892211
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -127.523280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.523280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.523280 (E_RNA)
where:
Base-Base interactions energy: -43.370
where: short stacking energy: -42.821
Base-Backbone interact. energy: -0.161
local terms energy: -83.992387
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -113.293201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.293201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.293201 (E_RNA)
where:
Base-Base interactions energy: -47.028
where: short stacking energy: -39.613
Base-Backbone interact. energy: 0.755
local terms energy: -67.019661
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -110.736760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.736760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.736760 (E_RNA)
where:
Base-Base interactions energy: -39.079
where: short stacking energy: -39.079
Base-Backbone interact. energy: -0.290
local terms energy: -71.368548
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -8.184
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: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -106.772055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.772055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.772055 (E_RNA)
where:
Base-Base interactions energy: -34.736
where: short stacking energy: -23.196
Base-Backbone interact. energy: -0.652
local terms energy: -71.383464
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -104.174995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.174995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.174995 (E_RNA)
where:
Base-Base interactions energy: -33.481
where: short stacking energy: -33.481
Base-Backbone interact. energy: -0.335
local terms energy: -70.358766
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -6.069
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: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -286.765001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.765001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.765001 (E_RNA)
where:
Base-Base interactions energy: -175.392
where: short stacking energy: -104.008
Base-Backbone interact. energy: -0.048
local terms energy: -111.325593
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -14.525
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: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -228.191896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.191896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.191896 (E_RNA)
where:
Base-Base interactions energy: -135.846
where: short stacking energy: -87.229
Base-Backbone interact. energy: -0.036
local terms energy: -92.309714
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -196.859003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.859003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.859003 (E_RNA)
where:
Base-Base interactions energy: -101.968
where: short stacking energy: -69.422
Base-Backbone interact. energy: -0.125
local terms energy: -94.766928
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -13.453
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: 4, replica: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -212.983426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.983426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.983426 (E_RNA)
where:
Base-Base interactions energy: -121.848
where: short stacking energy: -71.442
Base-Backbone interact. energy: -1.118
local terms energy: -90.016611
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -132.878301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.878301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.878301 (E_RNA)
where:
Base-Base interactions energy: -43.987
where: short stacking energy: -43.987
Base-Backbone interact. energy: -0.237
local terms energy: -88.653638
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -11.728
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: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -124.649247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.649247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.649247 (E_RNA)
where:
Base-Base interactions energy: -46.256
where: short stacking energy: -46.256
Base-Backbone interact. energy: 1.292
local terms energy: -79.685042
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -123.003453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.003453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.003453 (E_RNA)
where:
Base-Base interactions energy: -40.145
where: short stacking energy: -40.145
Base-Backbone interact. energy: -0.240
local terms energy: -82.618326
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -21.873
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -8.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -101.005650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.005650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.005650 (E_RNA)
where:
Base-Base interactions energy: -35.720
where: short stacking energy: -26.007
Base-Backbone interact. energy: 0.544
local terms energy: -65.829165
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: 7.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -111.929485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.929485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.929485 (E_RNA)
where:
Base-Base interactions energy: -48.213
where: short stacking energy: -31.040
Base-Backbone interact. energy: -0.182
local terms energy: -63.533711
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: 1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -88.816961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.816961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.816961 (E_RNA)
where:
Base-Base interactions energy: -31.993
where: short stacking energy: -26.803
Base-Backbone interact. energy: -0.581
local terms energy: -56.243280
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: 8.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -296.202868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.202868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.202868 (E_RNA)
where:
Base-Base interactions energy: -181.862
where: short stacking energy: -101.504
Base-Backbone interact. energy: -0.088
local terms energy: -114.253322
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -28.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -252.579340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.579340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.579340 (E_RNA)
where:
Base-Base interactions energy: -143.963
where: short stacking energy: -92.771
Base-Backbone interact. energy: -0.107
local terms energy: -108.509795
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -29.221
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: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -219.230187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.230187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.230187 (E_RNA)
where:
Base-Base interactions energy: -125.894
where: short stacking energy: -69.800
Base-Backbone interact. energy: -0.051
local terms energy: -93.285297
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -193.384180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.384180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.384180 (E_RNA)
where:
Base-Base interactions energy: -103.530
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.429
local terms energy: -89.424764
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -10.680
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: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -141.906869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.906869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.906869 (E_RNA)
where:
Base-Base interactions energy: -60.814
where: short stacking energy: -50.190
Base-Backbone interact. energy: -0.061
local terms energy: -81.032076
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -10.591
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: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -141.007476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.007476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.007476 (E_RNA)
where:
Base-Base interactions energy: -53.782
where: short stacking energy: -53.782
Base-Backbone interact. energy: -0.045
local terms energy: -87.180324
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -22.816
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -117.992767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.992767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.992767 (E_RNA)
where:
Base-Base interactions energy: -54.968
where: short stacking energy: -41.873
Base-Backbone interact. energy: 2.923
local terms energy: -65.947759
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -112.790904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.790904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.790904 (E_RNA)
where:
Base-Base interactions energy: -38.085
where: short stacking energy: -38.085
Base-Backbone interact. energy: -0.025
local terms energy: -74.680763
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -107.139526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.139526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.139526 (E_RNA)
where:
Base-Base interactions energy: -35.491
where: short stacking energy: -33.104
Base-Backbone interact. energy: 0.189
local terms energy: -71.837764
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -120.018638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.018638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.018638 (E_RNA)
where:
Base-Base interactions energy: -41.467
where: short stacking energy: -42.067
Base-Backbone interact. energy: -0.048
local terms energy: -78.504071
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -286.379487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.379487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.379487 (E_RNA)
where:
Base-Base interactions energy: -176.162
where: short stacking energy: -104.212
Base-Backbone interact. energy: -0.304
local terms energy: -109.913756
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -34.602
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: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -239.660765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.660765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.660765 (E_RNA)
where:
Base-Base interactions energy: -135.393
where: short stacking energy: -96.865
Base-Backbone interact. energy: -0.278
local terms energy: -103.990271
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -27.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -227.076566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.076566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.076566 (E_RNA)
where:
Base-Base interactions energy: -136.053
where: short stacking energy: -83.207
Base-Backbone interact. energy: -0.171
local terms energy: -90.852974
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -24.463
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: 135
Temperature: 1.050000
Total energy: -144.694898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.694898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.694898 (E_RNA)
where:
Base-Base interactions energy: -66.980
where: short stacking energy: -62.846
Base-Backbone interact. energy: -0.161
local terms energy: -77.553618
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -167.473189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.473189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.473189 (E_RNA)
where:
Base-Base interactions energy: -81.301
where: short stacking energy: -51.717
Base-Backbone interact. energy: -0.320
local terms energy: -85.852377
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -125.282225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.282225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.282225 (E_RNA)
where:
Base-Base interactions energy: -51.643
where: short stacking energy: -48.858
Base-Backbone interact. energy: 1.655
local terms energy: -75.294815
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -12.696
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: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -114.066374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.066374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.066374 (E_RNA)
where:
Base-Base interactions energy: -47.388
where: short stacking energy: -29.995
Base-Backbone interact. energy: -0.220
local terms energy: -66.458116
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -19.208
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -102.721309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.721309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.721309 (E_RNA)
where:
Base-Base interactions energy: -33.524
where: short stacking energy: -30.768
Base-Backbone interact. energy: -0.200
local terms energy: -68.997059
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -12.974
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: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -104.486661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.486661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.486661 (E_RNA)
where:
Base-Base interactions energy: -39.896
where: short stacking energy: -30.466
Base-Backbone interact. energy: -0.162
local terms energy: -64.429359
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -101.057505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.057505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.057505 (E_RNA)
where:
Base-Base interactions energy: -51.123
where: short stacking energy: -38.651
Base-Backbone interact. energy: -0.355
local terms energy: -49.579580
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -7.969
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -1.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -277.411293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.411293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.411293 (E_RNA)
where:
Base-Base interactions energy: -170.593
where: short stacking energy: -96.999
Base-Backbone interact. energy: -0.097
local terms energy: -106.721588
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -33.569
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: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -239.338441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.338441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.338441 (E_RNA)
where:
Base-Base interactions energy: -140.535
where: short stacking energy: -91.481
Base-Backbone interact. energy: -0.001
local terms energy: -98.803102
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -25.811
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: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -233.072124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.072124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.072124 (E_RNA)
where:
Base-Base interactions energy: -136.164
where: short stacking energy: -88.662
Base-Backbone interact. energy: -0.127
local terms energy: -96.781271
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -13.470
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: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -161.311531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.311531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.311531 (E_RNA)
where:
Base-Base interactions energy: -65.885
where: short stacking energy: -60.386
Base-Backbone interact. energy: -0.050
local terms energy: -95.377262
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -11.315
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: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -175.777453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.777453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.777453 (E_RNA)
where:
Base-Base interactions energy: -82.671
where: short stacking energy: -54.712
Base-Backbone interact. energy: -1.557
local terms energy: -91.549450
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -24.890
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -14.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -130.577506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.577506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.577506 (E_RNA)
where:
Base-Base interactions energy: -49.099
where: short stacking energy: -40.566
Base-Backbone interact. energy: -0.485
local terms energy: -80.993118
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -5.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -123.170387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.170387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.170387 (E_RNA)
where:
Base-Base interactions energy: -38.902
where: short stacking energy: -38.902
Base-Backbone interact. energy: -0.136
local terms energy: -84.131730
where:
bonds (distance) C4'-P energy: -20.311
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -5.426
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: 3
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -114.306620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.306620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.306620 (E_RNA)
where:
Base-Base interactions energy: -42.438
where: short stacking energy: -42.438
Base-Backbone interact. energy: -0.134
local terms energy: -71.734390
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -7.239
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: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -101.772230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.772230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.772230 (E_RNA)
where:
Base-Base interactions energy: -34.851
where: short stacking energy: -34.851
Base-Backbone interact. energy: -0.342
local terms energy: -66.579040
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -99.299739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.299739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.299739 (E_RNA)
where:
Base-Base interactions energy: -39.151
where: short stacking energy: -36.617
Base-Backbone interact. energy: 1.602
local terms energy: -61.750101
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -279.791837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.791837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.791837 (E_RNA)
where:
Base-Base interactions energy: -174.865
where: short stacking energy: -102.227
Base-Backbone interact. energy: 0.380
local terms energy: -105.306260
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -24.730
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -30.962
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: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -239.519452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.519452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.519452 (E_RNA)
where:
Base-Base interactions energy: -135.906
where: short stacking energy: -85.883
Base-Backbone interact. energy: -0.007
local terms energy: -103.606203
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -14.674
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: 3, replica: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -212.340400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.340400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.340400 (E_RNA)
where:
Base-Base interactions energy: -116.964
where: short stacking energy: -72.668
Base-Backbone interact. energy: -0.178
local terms energy: -95.198306
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -171.696069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.696069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.696069 (E_RNA)
where:
Base-Base interactions energy: -83.423
where: short stacking energy: -53.658
Base-Backbone interact. energy: -0.054
local terms energy: -88.219006
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -13.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -142.291685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.291685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.291685 (E_RNA)
where:
Base-Base interactions energy: -66.194
where: short stacking energy: -45.288
Base-Backbone interact. energy: -0.465
local terms energy: -75.633292
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -10.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -122.655760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.655760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.655760 (E_RNA)
where:
Base-Base interactions energy: -48.481
where: short stacking energy: -48.481
Base-Backbone interact. energy: -0.034
local terms energy: -74.140335
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -6.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -128.665101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.665101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.665101 (E_RNA)
where:
Base-Base interactions energy: -47.203
where: short stacking energy: -47.203
Base-Backbone interact. energy: -0.122
local terms energy: -81.340288
where:
bonds (distance) C4'-P energy: -22.367
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -11.811
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: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -106.832723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.832723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.832723 (E_RNA)
where:
Base-Base interactions energy: -39.572
where: short stacking energy: -25.788
Base-Backbone interact. energy: -0.165
local terms energy: -67.096077
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -105.152617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.152617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.152617 (E_RNA)
where:
Base-Base interactions energy: -38.022
where: short stacking energy: -38.418
Base-Backbone interact. energy: -0.462
local terms energy: -66.669146
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -104.084985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.084985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.084985 (E_RNA)
where:
Base-Base interactions energy: -38.597
where: short stacking energy: -31.980
Base-Backbone interact. energy: 1.655
local terms energy: -67.143116
where:
bonds (distance) C4'-P energy: -19.588
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -3.170
tors. eta vs tors. theta energy: -6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -281.345980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.345980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.345980 (E_RNA)
where:
Base-Base interactions energy: -168.226
where: short stacking energy: -96.064
Base-Backbone interact. energy: 0.155
local terms energy: -113.274742
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -25.531
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -30.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -246.167683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.167683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.167683 (E_RNA)
where:
Base-Base interactions energy: -142.853
where: short stacking energy: -88.800
Base-Backbone interact. energy: -0.030
local terms energy: -103.284723
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -23.406
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: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -209.858752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.858752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.858752 (E_RNA)
where:
Base-Base interactions energy: -113.286
where: short stacking energy: -70.269
Base-Backbone interact. energy: -0.240
local terms energy: -96.333090
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -20.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -188.790257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.790257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.790257 (E_RNA)
where:
Base-Base interactions energy: -95.458
where: short stacking energy: -70.659
Base-Backbone interact. energy: -0.095
local terms energy: -93.237483
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -19.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -133.123129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.123129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.123129 (E_RNA)
where:
Base-Base interactions energy: -46.054
where: short stacking energy: -44.433
Base-Backbone interact. energy: -0.031
local terms energy: -87.038217
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -138.240735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.240735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.240735 (E_RNA)
where:
Base-Base interactions energy: -62.061
where: short stacking energy: -59.796
Base-Backbone interact. energy: 1.806
local terms energy: -77.984878
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -119.196639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.196639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.196639 (E_RNA)
where:
Base-Base interactions energy: -40.605
where: short stacking energy: -40.605
Base-Backbone interact. energy: -0.363
local terms energy: -78.228674
where:
bonds (distance) C4'-P energy: -20.997
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -122.688493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.688493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.688493 (E_RNA)
where:
Base-Base interactions energy: -45.214
where: short stacking energy: -45.214
Base-Backbone interact. energy: -0.041
local terms energy: -77.433773
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -9.960
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: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -114.944913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.944913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.944913 (E_RNA)
where:
Base-Base interactions energy: -46.046
where: short stacking energy: -41.288
Base-Backbone interact. energy: -0.721
local terms energy: -68.178377
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -95.511260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.511260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.511260 (E_RNA)
where:
Base-Base interactions energy: -36.155
where: short stacking energy: -26.842
Base-Backbone interact. energy: -0.166
local terms energy: -59.190506
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -1.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -279.405822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.405822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.405822 (E_RNA)
where:
Base-Base interactions energy: -168.140
where: short stacking energy: -94.135
Base-Backbone interact. energy: -0.082
local terms energy: -111.184267
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -29.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -254.970113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.970113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.970113 (E_RNA)
where:
Base-Base interactions energy: -152.703
where: short stacking energy: -102.474
Base-Backbone interact. energy: -0.873
local terms energy: -101.393929
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: -32.961
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: 8
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -215.758265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.758265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.758265 (E_RNA)
where:
Base-Base interactions energy: -121.353
where: short stacking energy: -78.732
Base-Backbone interact. energy: -0.090
local terms energy: -94.314957
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -24.143
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -23.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -178.624967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.624967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.624967 (E_RNA)
where:
Base-Base interactions energy: -90.328
where: short stacking energy: -67.184
Base-Backbone interact. energy: -0.159
local terms energy: -88.137901
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -161.992734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.992734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.992734 (E_RNA)
where:
Base-Base interactions energy: -81.934
where: short stacking energy: -54.521
Base-Backbone interact. energy: -0.234
local terms energy: -79.824843
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -6.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -147.979389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.979389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.979389 (E_RNA)
where:
Base-Base interactions energy: -70.629
where: short stacking energy: -65.684
Base-Backbone interact. energy: 2.343
local terms energy: -79.693206
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -124.734269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.734269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.734269 (E_RNA)
where:
Base-Base interactions energy: -44.636
where: short stacking energy: -44.636
Base-Backbone interact. energy: 0.802
local terms energy: -80.900573
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -17.247
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: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -117.469754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.469754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.469754 (E_RNA)
where:
Base-Base interactions energy: -45.873
where: short stacking energy: -43.601
Base-Backbone interact. energy: -0.160
local terms energy: -71.436238
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -108.419882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.419882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.419882 (E_RNA)
where:
Base-Base interactions energy: -38.274
where: short stacking energy: -38.274
Base-Backbone interact. energy: -0.217
local terms energy: -69.928953
where:
bonds (distance) C4'-P energy: -23.435
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -6.774
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: 3
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -101.870512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.870512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.870512 (E_RNA)
where:
Base-Base interactions energy: -33.069
where: short stacking energy: -28.576
Base-Backbone interact. energy: -0.044
local terms energy: -68.756941
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -295.762998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.762998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.762998 (E_RNA)
where:
Base-Base interactions energy: -178.789
where: short stacking energy: -101.118
Base-Backbone interact. energy: -0.197
local terms energy: -116.777219
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -31.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -246.593418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.593418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.593418 (E_RNA)
where:
Base-Base interactions energy: -141.640
where: short stacking energy: -94.083
Base-Backbone interact. energy: -0.529
local terms energy: -104.425182
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -30.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -224.867575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.867575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.867575 (E_RNA)
where:
Base-Base interactions energy: -123.200
where: short stacking energy: -76.992
Base-Backbone interact. energy: -0.812
local terms energy: -100.855919
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -9.021
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: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -181.053763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.053763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.053763 (E_RNA)
where:
Base-Base interactions energy: -97.258
where: short stacking energy: -60.154
Base-Backbone interact. energy: -0.958
local terms energy: -82.837527
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -8.136
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: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -161.753585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.753585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.753585 (E_RNA)
where:
Base-Base interactions energy: -66.514
where: short stacking energy: -66.514
Base-Backbone interact. energy: -0.140
local terms energy: -95.098897
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -150.910189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.910189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.910189 (E_RNA)
where:
Base-Base interactions energy: -67.937
where: short stacking energy: -58.225
Base-Backbone interact. energy: -0.085
local terms energy: -82.888212
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -128.800833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.800833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.800833 (E_RNA)
where:
Base-Base interactions energy: -58.175
where: short stacking energy: -43.137
Base-Backbone interact. energy: -0.531
local terms energy: -70.094770
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -8.642
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: 140
Temperature: 1.250000
Total energy: -105.142592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.142592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.142592 (E_RNA)
where:
Base-Base interactions energy: -41.064
where: short stacking energy: -40.594
Base-Backbone interact. energy: -0.426
local terms energy: -63.652689
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -1.885
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: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -110.506542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.506542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.506542 (E_RNA)
where:
Base-Base interactions energy: -40.046
where: short stacking energy: -38.183
Base-Backbone interact. energy: -1.050
local terms energy: -69.410878
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -95.248645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.248645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.248645 (E_RNA)
where:
Base-Base interactions energy: -39.040
where: short stacking energy: -32.422
Base-Backbone interact. energy: -0.066
local terms energy: -56.142705
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -4.239
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: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -282.216628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.216628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.216628 (E_RNA)
where:
Base-Base interactions energy: -169.621
where: short stacking energy: -88.155
Base-Backbone interact. energy: -0.157
local terms energy: -112.438780
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -24.271
flat angles C4'-P-C4' energy: -24.843
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -29.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -243.756933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.756933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.756933 (E_RNA)
where:
Base-Base interactions energy: -133.407
where: short stacking energy: -86.910
Base-Backbone interact. energy: -0.123
local terms energy: -110.226538
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -29.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -222.909861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.909861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.909861 (E_RNA)
where:
Base-Base interactions energy: -120.399
where: short stacking energy: -72.752
Base-Backbone interact. energy: -0.142
local terms energy: -102.368961
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -175.661636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.661636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.661636 (E_RNA)
where:
Base-Base interactions energy: -91.270
where: short stacking energy: -74.809
Base-Backbone interact. energy: -0.356
local terms energy: -84.035769
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -128.615943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.615943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.615943 (E_RNA)
where:
Base-Base interactions energy: -52.507
where: short stacking energy: -50.196
Base-Backbone interact. energy: -0.399
local terms energy: -75.710813
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -9.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -113.355328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.355328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.355328 (E_RNA)
where:
Base-Base interactions energy: -45.248
where: short stacking energy: -34.374
Base-Backbone interact. energy: -0.117
local terms energy: -67.990839
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -8.520
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: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -113.555838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.555838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.555838 (E_RNA)
where:
Base-Base interactions energy: -35.095
where: short stacking energy: -34.274
Base-Backbone interact. energy: -0.009
local terms energy: -78.451218
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -14.985
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: 8, replica: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -106.710643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.710643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.710643 (E_RNA)
where:
Base-Base interactions energy: -43.135
where: short stacking energy: -37.064
Base-Backbone interact. energy: -0.601
local terms energy: -62.974489
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -112.103980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.103980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.103980 (E_RNA)
where:
Base-Base interactions energy: -42.008
where: short stacking energy: -37.342
Base-Backbone interact. energy: -0.407
local terms energy: -69.688807
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -90.252261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.252261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.252261 (E_RNA)
where:
Base-Base interactions energy: -30.622
where: short stacking energy: -30.622
Base-Backbone interact. energy: -0.349
local terms energy: -59.281392
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -2.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -284.380420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.380420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.380420 (E_RNA)
where:
Base-Base interactions energy: -178.330
where: short stacking energy: -99.203
Base-Backbone interact. energy: -0.146
local terms energy: -105.904414
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -22.873
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -8.104
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: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -242.903719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.903719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.903719 (E_RNA)
where:
Base-Base interactions energy: -138.580
where: short stacking energy: -88.438
Base-Backbone interact. energy: -0.088
local terms energy: -104.235887
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -29.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -231.658474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.658474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.658474 (E_RNA)
where:
Base-Base interactions energy: -128.318
where: short stacking energy: -88.156
Base-Backbone interact. energy: -0.293
local terms energy: -103.046965
where:
bonds (distance) C4'-P energy: -22.530
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -24.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -156.731969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.731969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.731969 (E_RNA)
where:
Base-Base interactions energy: -72.538
where: short stacking energy: -53.616
Base-Backbone interact. energy: -0.456
local terms energy: -83.737605
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -14.432
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: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -125.257116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.257116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.257116 (E_RNA)
where:
Base-Base interactions energy: -46.951
where: short stacking energy: -45.023
Base-Backbone interact. energy: 0.338
local terms energy: -78.643876
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -130.075703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.075703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.075703 (E_RNA)
where:
Base-Base interactions energy: -53.297
where: short stacking energy: -44.161
Base-Backbone interact. energy: 1.913
local terms energy: -78.691478
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -120.810611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.810611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.810611 (E_RNA)
where:
Base-Base interactions energy: -50.226
where: short stacking energy: -50.226
Base-Backbone interact. energy: -0.157
local terms energy: -70.428147
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -21.839
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -109.556851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.556851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.556851 (E_RNA)
where:
Base-Base interactions energy: -38.403
where: short stacking energy: -38.403
Base-Backbone interact. energy: -0.229
local terms energy: -70.925131
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -99.620689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.620689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.620689 (E_RNA)
where:
Base-Base interactions energy: -32.542
where: short stacking energy: -32.497
Base-Backbone interact. energy: -0.116
local terms energy: -66.962184
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -8.748
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: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -114.948079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.948079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.948079 (E_RNA)
where:
Base-Base interactions energy: -40.520
where: short stacking energy: -36.062
Base-Backbone interact. energy: -0.344
local terms energy: -74.083615
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -8.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -284.083876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.083876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.083876 (E_RNA)
where:
Base-Base interactions energy: -168.627
where: short stacking energy: -106.001
Base-Backbone interact. energy: 0.685
local terms energy: -116.141129
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -32.737
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: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -241.382466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.382466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.382466 (E_RNA)
where:
Base-Base interactions energy: -133.558
where: short stacking energy: -93.847
Base-Backbone interact. energy: -0.029
local terms energy: -107.795671
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -18.831
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: 3, replica: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -219.140395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.140395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.140395 (E_RNA)
where:
Base-Base interactions energy: -129.583
where: short stacking energy: -87.503
Base-Backbone interact. energy: -0.103
local terms energy: -89.454031
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -13.341
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: 4, replica: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -169.894605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.894605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.894605 (E_RNA)
where:
Base-Base interactions energy: -84.850
where: short stacking energy: -58.377
Base-Backbone interact. energy: 2.447
local terms energy: -87.491197
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -129.087036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.087036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.087036 (E_RNA)
where:
Base-Base interactions energy: -54.800
where: short stacking energy: -37.813
Base-Backbone interact. energy: -0.199
local terms energy: -74.088627
where:
bonds (distance) C4'-P energy: -20.857
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -139.972340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.972340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.972340 (E_RNA)
where:
Base-Base interactions energy: -48.934
where: short stacking energy: -35.727
Base-Backbone interact. energy: -0.037
local terms energy: -91.001904
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -105.654678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.654678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.654678 (E_RNA)
where:
Base-Base interactions energy: -36.554
where: short stacking energy: -36.554
Base-Backbone interact. energy: -0.732
local terms energy: -68.368823
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -107.062256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.062256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.062256 (E_RNA)
where:
Base-Base interactions energy: -34.869
where: short stacking energy: -34.869
Base-Backbone interact. energy: -0.087
local terms energy: -72.106255
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -12.972
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: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -99.849806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.849806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.849806 (E_RNA)
where:
Base-Base interactions energy: -37.607
where: short stacking energy: -35.323
Base-Backbone interact. energy: -0.493
local terms energy: -61.750199
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: 0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -111.826766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.826766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.826766 (E_RNA)
where:
Base-Base interactions energy: -46.935
where: short stacking energy: -46.935
Base-Backbone interact. energy: -0.117
local terms energy: -64.774260
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -23.632
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -290.986001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.986001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.986001 (E_RNA)
where:
Base-Base interactions energy: -179.905
where: short stacking energy: -100.426
Base-Backbone interact. energy: -0.023
local terms energy: -111.058198
where:
bonds (distance) C4'-P energy: -23.480
bonds (distance) P-C4' energy: -22.352
flat angles C4'-P-C4' energy: -23.891
flat angles P-C4'-P energy: -12.227
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: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -232.107084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.107084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.107084 (E_RNA)
where:
Base-Base interactions energy: -132.119
where: short stacking energy: -83.887
Base-Backbone interact. energy: -0.261
local terms energy: -99.726345
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -21.995
flat angles P-C4'-P energy: -18.112
tors. eta vs tors. theta energy: -22.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -206.424887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.424887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.424887 (E_RNA)
where:
Base-Base interactions energy: -108.294
where: short stacking energy: -64.392
Base-Backbone interact. energy: -0.129
local terms energy: -98.002284
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -147.995859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.995859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.995859 (E_RNA)
where:
Base-Base interactions energy: -56.627
where: short stacking energy: -56.571
Base-Backbone interact. energy: 0.047
local terms energy: -91.415208
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -22.244
flat angles P-C4'-P energy: -14.010
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: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -140.503642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.503642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.503642 (E_RNA)
where:
Base-Base interactions energy: -56.016
where: short stacking energy: -55.406
Base-Backbone interact. energy: -0.106
local terms energy: -84.381664
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -14.021
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: 6, replica: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -127.492814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.492814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.492814 (E_RNA)
where:
Base-Base interactions energy: -59.901
where: short stacking energy: -40.254
Base-Backbone interact. energy: -0.146
local terms energy: -67.446107
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -2.718
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: 144
Temperature: 1.200000
Total energy: -117.624885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.624885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.624885 (E_RNA)
where:
Base-Base interactions energy: -37.879
where: short stacking energy: -37.417
Base-Backbone interact. energy: -0.079
local terms energy: -79.666909
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -23.696
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -120.256723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.256723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.256723 (E_RNA)
where:
Base-Base interactions energy: -45.396
where: short stacking energy: -39.861
Base-Backbone interact. energy: -0.317
local terms energy: -74.544452
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -9.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -108.604090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.604090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.604090 (E_RNA)
where:
Base-Base interactions energy: -48.989
where: short stacking energy: -21.098
Base-Backbone interact. energy: -0.158
local terms energy: -59.457005
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: 5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -103.854028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.854028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.854028 (E_RNA)
where:
Base-Base interactions energy: -32.612
where: short stacking energy: -28.358
Base-Backbone interact. energy: -0.065
local terms energy: -71.177446
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -287.988396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.988396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.988396 (E_RNA)
where:
Base-Base interactions energy: -183.862
where: short stacking energy: -110.949
Base-Backbone interact. energy: -0.007
local terms energy: -104.119081
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -33.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -245.919066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.919066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.919066 (E_RNA)
where:
Base-Base interactions energy: -143.002
where: short stacking energy: -96.643
Base-Backbone interact. energy: -0.017
local terms energy: -102.899942
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -29.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -215.035035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.035035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.035035 (E_RNA)
where:
Base-Base interactions energy: -126.290
where: short stacking energy: -68.500
Base-Backbone interact. energy: 1.194
local terms energy: -89.939503
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -10.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -141.839996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.839996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.839996 (E_RNA)
where:
Base-Base interactions energy: -63.395
where: short stacking energy: -63.395
Base-Backbone interact. energy: -0.015
local terms energy: -78.429666
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -12.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -152.756111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.756111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.756111 (E_RNA)
where:
Base-Base interactions energy: -73.460
where: short stacking energy: -56.180
Base-Backbone interact. energy: -0.093
local terms energy: -79.203142
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -134.478634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.478634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.478634 (E_RNA)
where:
Base-Base interactions energy: -56.112
where: short stacking energy: -55.979
Base-Backbone interact. energy: -0.050
local terms energy: -78.315822
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -11.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -116.139628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.139628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.139628 (E_RNA)
where:
Base-Base interactions energy: -40.287
where: short stacking energy: -36.152
Base-Backbone interact. energy: 0.073
local terms energy: -75.926037
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -118.771184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.771184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.771184 (E_RNA)
where:
Base-Base interactions energy: -51.309
where: short stacking energy: -46.677
Base-Backbone interact. energy: 0.865
local terms energy: -68.326785
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -9.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -108.467354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.467354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.467354 (E_RNA)
where:
Base-Base interactions energy: -37.598
where: short stacking energy: -36.822
Base-Backbone interact. energy: 0.779
local terms energy: -71.648174
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -8.858
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: 10, replica: 3
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -96.641258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.641258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.641258 (E_RNA)
where:
Base-Base interactions energy: -28.410
where: short stacking energy: -28.410
Base-Backbone interact. energy: -0.214
local terms energy: -68.017073
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: 7.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -287.067094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.067094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.067094 (E_RNA)
where:
Base-Base interactions energy: -170.160
where: short stacking energy: -111.296
Base-Backbone interact. energy: -0.074
local terms energy: -116.833047
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -34.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -251.417052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.417052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.417052 (E_RNA)
where:
Base-Base interactions energy: -141.089
where: short stacking energy: -92.907
Base-Backbone interact. energy: -0.406
local terms energy: -109.922448
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -30.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -204.208810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.208810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.208810 (E_RNA)
where:
Base-Base interactions energy: -111.308
where: short stacking energy: -66.311
Base-Backbone interact. energy: -1.149
local terms energy: -91.750943
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -129.862008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.862008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.862008 (E_RNA)
where:
Base-Base interactions energy: -56.366
where: short stacking energy: -47.941
Base-Backbone interact. energy: -0.237
local terms energy: -73.259121
where:
bonds (distance) C4'-P energy: -22.300
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -8.517
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: 5, replica: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -149.813139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.813139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.813139 (E_RNA)
where:
Base-Base interactions energy: -64.500
where: short stacking energy: -43.898
Base-Backbone interact. energy: -0.120
local terms energy: -85.193512
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -12.895
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: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -132.326974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.326974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.326974 (E_RNA)
where:
Base-Base interactions energy: -52.844
where: short stacking energy: -51.668
Base-Backbone interact. energy: -0.048
local terms energy: -79.434504
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -22.200
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -124.056429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.056429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.056429 (E_RNA)
where:
Base-Base interactions energy: -51.876
where: short stacking energy: -43.339
Base-Backbone interact. energy: 1.670
local terms energy: -73.850570
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -106.065726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.065726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.065726 (E_RNA)
where:
Base-Base interactions energy: -44.498
where: short stacking energy: -42.640
Base-Backbone interact. energy: -0.193
local terms energy: -61.375097
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -93.703168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.703168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.703168 (E_RNA)
where:
Base-Base interactions energy: -24.265
where: short stacking energy: -24.198
Base-Backbone interact. energy: 0.283
local terms energy: -69.720472
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -99.012414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.012414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.012414 (E_RNA)
where:
Base-Base interactions energy: -31.367
where: short stacking energy: -29.436
Base-Backbone interact. energy: -0.354
local terms energy: -67.291710
where:
bonds (distance) C4'-P energy: -7.446
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -14.649
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: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -280.778572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.778572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.778572 (E_RNA)
where:
Base-Base interactions energy: -169.824
where: short stacking energy: -98.854
Base-Backbone interact. energy: 0.324
local terms energy: -111.278679
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -34.358
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: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -241.921100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.921100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.921100 (E_RNA)
where:
Base-Base interactions energy: -137.916
where: short stacking energy: -91.960
Base-Backbone interact. energy: -0.085
local terms energy: -103.920852
where:
bonds (distance) C4'-P energy: -20.601
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -25.109
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -204.134875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.134875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.134875 (E_RNA)
where:
Base-Base interactions energy: -109.527
where: short stacking energy: -64.663
Base-Backbone interact. energy: -0.111
local terms energy: -94.497122
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -22.952
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -14.607
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: 4, replica: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -190.590659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.590659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.590659 (E_RNA)
where:
Base-Base interactions energy: -95.459
where: short stacking energy: -63.698
Base-Backbone interact. energy: -0.111
local terms energy: -95.021221
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -19.279
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -15.840
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: 5, replica: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -142.045868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.045868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.045868 (E_RNA)
where:
Base-Base interactions energy: -61.405
where: short stacking energy: -61.505
Base-Backbone interact. energy: -0.115
local terms energy: -80.526348
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -131.867518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.867518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.867518 (E_RNA)
where:
Base-Base interactions energy: -53.145
where: short stacking energy: -43.210
Base-Backbone interact. energy: 0.214
local terms energy: -78.936585
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -20.370
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -14.913
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: 7, replica: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -133.902113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.902113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.902113 (E_RNA)
where:
Base-Base interactions energy: -53.129
where: short stacking energy: -44.600
Base-Backbone interact. energy: -1.099
local terms energy: -79.673940
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -10.928
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: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -126.818905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.818905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.818905 (E_RNA)
where:
Base-Base interactions energy: -53.554
where: short stacking energy: -53.103
Base-Backbone interact. energy: -0.237
local terms energy: -73.027525
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -20.635
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -10.799
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: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -102.883201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.883201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.883201 (E_RNA)
where:
Base-Base interactions energy: -42.742
where: short stacking energy: -42.552
Base-Backbone interact. energy: 5.133
local terms energy: -65.274015
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: 0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -97.228920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.228920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.228920 (E_RNA)
where:
Base-Base interactions energy: -29.076
where: short stacking energy: -29.076
Base-Backbone interact. energy: -0.585
local terms energy: -67.567097
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -283.974762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.974762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.974762 (E_RNA)
where:
Base-Base interactions energy: -172.146
where: short stacking energy: -98.179
Base-Backbone interact. energy: -0.001
local terms energy: -111.827704
where:
bonds (distance) C4'-P energy: -21.231
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -29.620
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: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -235.007989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.007989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.007989 (E_RNA)
where:
Base-Base interactions energy: -131.371
where: short stacking energy: -83.431
Base-Backbone interact. energy: 1.534
local terms energy: -105.171509
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -21.995
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -25.361
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: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -205.530507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.530507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.530507 (E_RNA)
where:
Base-Base interactions energy: -113.747
where: short stacking energy: -74.703
Base-Backbone interact. energy: -0.117
local terms energy: -91.666670
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -198.208459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.208459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.208459 (E_RNA)
where:
Base-Base interactions energy: -103.848
where: short stacking energy: -77.231
Base-Backbone interact. energy: -0.011
local terms energy: -94.349167
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -18.589
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: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -145.389240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.389240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.389240 (E_RNA)
where:
Base-Base interactions energy: -55.239
where: short stacking energy: -55.180
Base-Backbone interact. energy: -0.197
local terms energy: -89.953098
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -149.140570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.140570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.140570 (E_RNA)
where:
Base-Base interactions energy: -74.099
where: short stacking energy: -49.014
Base-Backbone interact. energy: 0.981
local terms energy: -76.022920
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -11.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -117.952259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.952259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.952259 (E_RNA)
where:
Base-Base interactions energy: -48.609
where: short stacking energy: -40.729
Base-Backbone interact. energy: 1.419
local terms energy: -70.762124
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -4.595
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: 8, replica: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -135.048900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.048900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.048900 (E_RNA)
where:
Base-Base interactions energy: -58.297
where: short stacking energy: -39.610
Base-Backbone interact. energy: -0.183
local terms energy: -76.568924
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -96.338531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.338531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.338531 (E_RNA)
where:
Base-Base interactions energy: -34.511
where: short stacking energy: -33.062
Base-Backbone interact. energy: 0.627
local terms energy: -62.454873
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: 1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -110.246961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.246961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.246961 (E_RNA)
where:
Base-Base interactions energy: -45.907
where: short stacking energy: -37.313
Base-Backbone interact. energy: -0.816
local terms energy: -63.524447
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: 2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -276.016676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.016676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.016676 (E_RNA)
where:
Base-Base interactions energy: -167.702
where: short stacking energy: -103.767
Base-Backbone interact. energy: 0.833
local terms energy: -109.148114
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -29.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -242.784969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.784969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.784969 (E_RNA)
where:
Base-Base interactions energy: -151.502
where: short stacking energy: -94.616
Base-Backbone interact. energy: 1.362
local terms energy: -92.645399
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -24.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -188.730928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.730928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.730928 (E_RNA)
where:
Base-Base interactions energy: -101.237
where: short stacking energy: -64.915
Base-Backbone interact. energy: -0.147
local terms energy: -87.346899
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -191.420860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.420860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.420860 (E_RNA)
where:
Base-Base interactions energy: -99.161
where: short stacking energy: -72.591
Base-Backbone interact. energy: -0.153
local terms energy: -92.107398
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -24.380
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -135.271554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.271554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.271554 (E_RNA)
where:
Base-Base interactions energy: -56.040
where: short stacking energy: -55.012
Base-Backbone interact. energy: -0.044
local terms energy: -79.186664
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -11.519
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: 6, replica: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -168.476759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.476759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.476759 (E_RNA)
where:
Base-Base interactions energy: -89.384
where: short stacking energy: -57.492
Base-Backbone interact. energy: -0.606
local terms energy: -78.487254
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -116.317835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.317835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.317835 (E_RNA)
where:
Base-Base interactions energy: -45.766
where: short stacking energy: -45.590
Base-Backbone interact. energy: -0.342
local terms energy: -70.209717
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -5.663
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: 8, replica: 1
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -115.292036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.292036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.292036 (E_RNA)
where:
Base-Base interactions energy: -41.356
where: short stacking energy: -41.356
Base-Backbone interact. energy: -0.164
local terms energy: -73.772299
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -104.425647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.425647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.425647 (E_RNA)
where:
Base-Base interactions energy: -32.254
where: short stacking energy: -33.254
Base-Backbone interact. energy: 0.971
local terms energy: -73.143183
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -8.050
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: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -99.027648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.027648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.027648 (E_RNA)
where:
Base-Base interactions energy: -24.208
where: short stacking energy: -22.015
Base-Backbone interact. energy: 1.337
local terms energy: -76.156401
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -283.219988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.219988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.219988 (E_RNA)
where:
Base-Base interactions energy: -168.658
where: short stacking energy: -109.191
Base-Backbone interact. energy: -0.011
local terms energy: -114.551330
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -25.811
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -30.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -240.802984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.802984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.802984 (E_RNA)
where:
Base-Base interactions energy: -135.933
where: short stacking energy: -92.096
Base-Backbone interact. energy: 0.884
local terms energy: -105.753418
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -25.372
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -31.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -206.970576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.970576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.970576 (E_RNA)
where:
Base-Base interactions energy: -106.511
where: short stacking energy: -74.456
Base-Backbone interact. energy: -0.222
local terms energy: -100.237753
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -21.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -193.174944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.174944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.174944 (E_RNA)
where:
Base-Base interactions energy: -106.202
where: short stacking energy: -62.810
Base-Backbone interact. energy: -0.388
local terms energy: -86.585165
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -19.297
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: 150
Temperature: 1.100000
Total energy: -126.512993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.512993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.512993 (E_RNA)
where:
Base-Base interactions energy: -48.205
where: short stacking energy: -39.634
Base-Backbone interact. energy: -0.281
local terms energy: -78.026657
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -16.621
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: 6, replica: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -128.538835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.538835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.538835 (E_RNA)
where:
Base-Base interactions energy: -52.716
where: short stacking energy: -49.526
Base-Backbone interact. energy: -0.279
local terms energy: -75.543284
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -6.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -126.853515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.853515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.853515 (E_RNA)
where:
Base-Base interactions energy: -47.140
where: short stacking energy: -45.805
Base-Backbone interact. energy: -0.331
local terms energy: -79.383040
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -10.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -111.003272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.003272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.003272 (E_RNA)
where:
Base-Base interactions energy: -32.363
where: short stacking energy: -27.276
Base-Backbone interact. energy: 0.549
local terms energy: -79.189251
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -106.891975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.891975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.891975 (E_RNA)
where:
Base-Base interactions energy: -38.863
where: short stacking energy: -38.863
Base-Backbone interact. energy: -0.211
local terms energy: -67.817375
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: 1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -106.907520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.907520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.907520 (E_RNA)
where:
Base-Base interactions energy: -40.878
where: short stacking energy: -40.878
Base-Backbone interact. energy: -0.118
local terms energy: -65.912270
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -4.613
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: 151
Temperature: 0.900000
Total energy: -293.964131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.964131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.964131 (E_RNA)
where:
Base-Base interactions energy: -175.638
where: short stacking energy: -107.574
Base-Backbone interact. energy: -0.012
local terms energy: -118.313583
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -32.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -243.716835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.716835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.716835 (E_RNA)
where:
Base-Base interactions energy: -144.798
where: short stacking energy: -85.615
Base-Backbone interact. energy: -0.017
local terms energy: -98.902035
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -21.904
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: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -183.755119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.755119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.755119 (E_RNA)
where:
Base-Base interactions energy: -93.431
where: short stacking energy: -58.105
Base-Backbone interact. energy: 0.370
local terms energy: -90.693646
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -14.843
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: 151
Temperature: 1.050000
Total energy: -216.348152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.348152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.348152 (E_RNA)
where:
Base-Base interactions energy: -120.797
where: short stacking energy: -77.922
Base-Backbone interact. energy: -0.012
local terms energy: -95.539758
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -23.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -140.477911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.477911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.477911 (E_RNA)
where:
Base-Base interactions energy: -56.998
where: short stacking energy: -48.500
Base-Backbone interact. energy: -0.210
local terms energy: -83.269835
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -8.548
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: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -131.412025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.412025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.412025 (E_RNA)
where:
Base-Base interactions energy: -55.160
where: short stacking energy: -52.580
Base-Backbone interact. energy: 2.150
local terms energy: -78.401470
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -8.442
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: 151
Temperature: 1.200000
Total energy: -125.435657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.435657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.435657 (E_RNA)
where:
Base-Base interactions energy: -60.288
where: short stacking energy: -46.588
Base-Backbone interact. energy: 1.579
local terms energy: -66.727178
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -7.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -109.456832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.456832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.456832 (E_RNA)
where:
Base-Base interactions energy: -51.913
where: short stacking energy: -47.565
Base-Backbone interact. energy: -0.717
local terms energy: -56.826614
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -4.541
tors. eta vs tors. theta energy: -5.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -89.887739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.887739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.887739 (E_RNA)
where:
Base-Base interactions energy: -31.080
where: short stacking energy: -31.080
Base-Backbone interact. energy: -1.069
local terms energy: -57.738861
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: 3.275
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: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -97.331905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.331905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.331905 (E_RNA)
where:
Base-Base interactions energy: -32.161
where: short stacking energy: -32.161
Base-Backbone interact. energy: 0.651
local terms energy: -65.821537
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -268.871394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.871394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.871394 (E_RNA)
where:
Base-Base interactions energy: -159.064
where: short stacking energy: -102.825
Base-Backbone interact. energy: -0.191
local terms energy: -109.616472
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -20.937
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -30.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -249.817604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.817604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.817604 (E_RNA)
where:
Base-Base interactions energy: -143.141
where: short stacking energy: -93.078
Base-Backbone interact. energy: -0.031
local terms energy: -106.646169
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -14.504
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: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -209.298437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.298437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.298437 (E_RNA)
where:
Base-Base interactions energy: -111.428
where: short stacking energy: -69.908
Base-Backbone interact. energy: -0.031
local terms energy: -97.838606
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -16.302
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: 4, replica: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -175.126161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.126161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.126161 (E_RNA)
where:
Base-Base interactions energy: -90.240
where: short stacking energy: -49.443
Base-Backbone interact. energy: -0.048
local terms energy: -84.838252
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -125.188706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.188706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.188706 (E_RNA)
where:
Base-Base interactions energy: -45.767
where: short stacking energy: -45.183
Base-Backbone interact. energy: -0.109
local terms energy: -79.312594
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -7.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -124.366982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.366982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.366982 (E_RNA)
where:
Base-Base interactions energy: -43.903
where: short stacking energy: -43.689
Base-Backbone interact. energy: -1.051
local terms energy: -79.413267
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -7.379
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: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -121.039210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.039210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.039210 (E_RNA)
where:
Base-Base interactions energy: -46.480
where: short stacking energy: -38.452
Base-Backbone interact. energy: 0.551
local terms energy: -75.110785
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -9.399
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: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -118.619786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.619786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.619786 (E_RNA)
where:
Base-Base interactions energy: -44.468
where: short stacking energy: -41.560
Base-Backbone interact. energy: -0.070
local terms energy: -74.081830
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -12.325
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: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -135.155706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.155706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.155706 (E_RNA)
where:
Base-Base interactions energy: -51.497
where: short stacking energy: -51.357
Base-Backbone interact. energy: -0.082
local terms energy: -83.576680
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -110.700943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.700943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.700943 (E_RNA)
where:
Base-Base interactions energy: -43.391
where: short stacking energy: -34.041
Base-Backbone interact. energy: -0.122
local terms energy: -67.187399
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -276.822048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.822048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.822048 (E_RNA)
where:
Base-Base interactions energy: -163.269
where: short stacking energy: -99.573
Base-Backbone interact. energy: -0.024
local terms energy: -113.529355
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -23.544
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -28.005
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: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -216.036307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.036307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.036307 (E_RNA)
where:
Base-Base interactions energy: -127.719
where: short stacking energy: -65.170
Base-Backbone interact. energy: -0.381
local terms energy: -87.936367
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -15.796
tors. eta vs tors. theta energy: -16.043
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: 3, replica: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -238.973326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.973326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.973326 (E_RNA)
where:
Base-Base interactions energy: -134.765
where: short stacking energy: -86.290
Base-Backbone interact. energy: 2.091
local terms energy: -106.299744
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -22.041
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -24.843
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: 10
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -193.770752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.770752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.770752 (E_RNA)
where:
Base-Base interactions energy: -100.775
where: short stacking energy: -73.657
Base-Backbone interact. energy: 0.106
local terms energy: -93.101463
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -140.488955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.488955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.488955 (E_RNA)
where:
Base-Base interactions energy: -59.133
where: short stacking energy: -43.369
Base-Backbone interact. energy: -0.216
local terms energy: -81.140736
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -21.854
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -8.348
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: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -138.095266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.095266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.095266 (E_RNA)
where:
Base-Base interactions energy: -61.502
where: short stacking energy: -61.502
Base-Backbone interact. energy: 0.861
local terms energy: -77.454741
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -24.518
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -14.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -127.266294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.266294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.266294 (E_RNA)
where:
Base-Base interactions energy: -48.411
where: short stacking energy: -37.066
Base-Backbone interact. energy: 0.148
local terms energy: -79.002839
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -9.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -129.254639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.254639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.254639 (E_RNA)
where:
Base-Base interactions energy: -55.463
where: short stacking energy: -52.027
Base-Backbone interact. energy: -0.050
local terms energy: -73.741594
where:
bonds (distance) C4'-P energy: -23.233
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: -8.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -107.254768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.254768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.254768 (E_RNA)
where:
Base-Base interactions energy: -32.842
where: short stacking energy: -32.842
Base-Backbone interact. energy: 1.034
local terms energy: -75.446176
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -97.910216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.910216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.910216 (E_RNA)
where:
Base-Base interactions energy: -36.653
where: short stacking energy: -36.653
Base-Backbone interact. energy: -0.173
local terms energy: -61.084013
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -228.306640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.306640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.306640 (E_RNA)
where:
Base-Base interactions energy: -125.209
where: short stacking energy: -83.070
Base-Backbone interact. energy: -0.386
local terms energy: -102.711521
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -18.913
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -265.776838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.776838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.776838 (E_RNA)
where:
Base-Base interactions energy: -156.118
where: short stacking energy: -93.789
Base-Backbone interact. energy: -0.005
local terms energy: -109.653982
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -22.910
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -26.731
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: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -218.746561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.746561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.746561 (E_RNA)
where:
Base-Base interactions energy: -128.756
where: short stacking energy: -82.308
Base-Backbone interact. energy: -0.094
local terms energy: -89.896437
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -6.746
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: 4, replica: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -187.201036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.201036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.201036 (E_RNA)
where:
Base-Base interactions energy: -94.470
where: short stacking energy: -68.182
Base-Backbone interact. energy: -0.190
local terms energy: -92.541257
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -19.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -133.114749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.114749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.114749 (E_RNA)
where:
Base-Base interactions energy: -50.694
where: short stacking energy: -49.368
Base-Backbone interact. energy: 0.318
local terms energy: -82.738782
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -24.102
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -9.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -124.876052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.876052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.876052 (E_RNA)
where:
Base-Base interactions energy: -48.325
where: short stacking energy: -46.893
Base-Backbone interact. energy: -0.193
local terms energy: -76.358706
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -8.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -115.025798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.025798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.025798 (E_RNA)
where:
Base-Base interactions energy: -48.907
where: short stacking energy: -34.163
Base-Backbone interact. energy: -0.859
local terms energy: -65.259579
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -16.777
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: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -110.445014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.445014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.445014 (E_RNA)
where:
Base-Base interactions energy: -42.510
where: short stacking energy: -38.644
Base-Backbone interact. energy: -0.157
local terms energy: -67.778592
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -93.329414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.329414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.329414 (E_RNA)
where:
Base-Base interactions energy: -27.690
where: short stacking energy: -17.038
Base-Backbone interact. energy: -0.396
local terms energy: -65.244051
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -0.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -99.403427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.403427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.403427 (E_RNA)
where:
Base-Base interactions energy: -43.487
where: short stacking energy: -34.910
Base-Backbone interact. energy: 0.880
local terms energy: -56.796101
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -21.873
flat angles C4'-P-C4' energy: -5.973
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -2.374
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: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -229.444426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.444426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.444426 (E_RNA)
where:
Base-Base interactions energy: -130.248
where: short stacking energy: -85.329
Base-Backbone interact. energy: -0.190
local terms energy: -99.006957
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -24.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -255.103896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.103896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.103896 (E_RNA)
where:
Base-Base interactions energy: -152.594
where: short stacking energy: -94.797
Base-Backbone interact. energy: -0.033
local terms energy: -102.477477
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -31.052
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: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -218.565519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.565519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.565519 (E_RNA)
where:
Base-Base interactions energy: -115.151
where: short stacking energy: -69.440
Base-Backbone interact. energy: -0.054
local terms energy: -103.360062
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -23.057
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -25.244
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: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -142.621000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.621000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.621000 (E_RNA)
where:
Base-Base interactions energy: -56.252
where: short stacking energy: -49.705
Base-Backbone interact. energy: -0.418
local terms energy: -85.950620
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -179.031988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.031988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.031988 (E_RNA)
where:
Base-Base interactions energy: -81.210
where: short stacking energy: -52.746
Base-Backbone interact. energy: -0.038
local terms energy: -97.783951
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -24.060
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -11.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -133.640545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.640545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.640545 (E_RNA)
where:
Base-Base interactions energy: -51.320
where: short stacking energy: -51.320
Base-Backbone interact. energy: -0.071
local terms energy: -82.249330
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -8.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -126.307375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.307375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.307375 (E_RNA)
where:
Base-Base interactions energy: -45.234
where: short stacking energy: -45.234
Base-Backbone interact. energy: -0.084
local terms energy: -80.990038
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -15.661
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -12.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -112.682557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.682557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.682557 (E_RNA)
where:
Base-Base interactions energy: -46.183
where: short stacking energy: -44.389
Base-Backbone interact. energy: -0.109
local terms energy: -66.390163
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -8.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -124.600760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.600760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.600760 (E_RNA)
where:
Base-Base interactions energy: -53.758
where: short stacking energy: -47.364
Base-Backbone interact. energy: -0.220
local terms energy: -70.623033
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -6.081
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: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -100.033683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.033683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.033683 (E_RNA)
where:
Base-Base interactions energy: -35.312
where: short stacking energy: -35.312
Base-Backbone interact. energy: -1.241
local terms energy: -63.481499
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -4.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -254.393218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.393218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.393218 (E_RNA)
where:
Base-Base interactions energy: -149.027
where: short stacking energy: -102.021
Base-Backbone interact. energy: -0.064
local terms energy: -105.302340
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -22.992
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -29.682
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: 156
Temperature: 0.950000
Total energy: -235.134157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.134157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.134157 (E_RNA)
where:
Base-Base interactions energy: -132.271
where: short stacking energy: -80.549
Base-Backbone interact. energy: -0.056
local terms energy: -102.806754
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -23.660
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: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -245.787880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.787880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.787880 (E_RNA)
where:
Base-Base interactions energy: -143.464
where: short stacking energy: -99.389
Base-Backbone interact. energy: -0.089
local terms energy: -102.234498
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -29.562
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: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -173.199543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.199543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.199543 (E_RNA)
where:
Base-Base interactions energy: -78.194
where: short stacking energy: -78.194
Base-Backbone interact. energy: -0.009
local terms energy: -94.997064
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -24.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -174.993340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.993340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.993340 (E_RNA)
where:
Base-Base interactions energy: -85.932
where: short stacking energy: -59.911
Base-Backbone interact. energy: -0.039
local terms energy: -89.021964
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -10.555
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: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -122.139911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.139911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.139911 (E_RNA)
where:
Base-Base interactions energy: -45.911
where: short stacking energy: -45.911
Base-Backbone interact. energy: -0.096
local terms energy: -76.132789
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -11.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -125.338246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.338246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.338246 (E_RNA)
where:
Base-Base interactions energy: -54.314
where: short stacking energy: -36.574
Base-Backbone interact. energy: -0.234
local terms energy: -70.791163
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -119.833490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.833490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.833490 (E_RNA)
where:
Base-Base interactions energy: -59.969
where: short stacking energy: -51.650
Base-Backbone interact. energy: 0.012
local terms energy: -59.876999
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -3.206
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: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -110.186265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.186265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.186265 (E_RNA)
where:
Base-Base interactions energy: -34.945
where: short stacking energy: -34.945
Base-Backbone interact. energy: -0.874
local terms energy: -74.367719
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: 1.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -113.369393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.369393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.369393 (E_RNA)
where:
Base-Base interactions energy: -41.984
where: short stacking energy: -35.864
Base-Backbone interact. energy: -0.097
local terms energy: -71.288125
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -7.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -250.266500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.266500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.266500 (E_RNA)
where:
Base-Base interactions energy: -145.852
where: short stacking energy: -92.037
Base-Backbone interact. energy: -0.937
local terms energy: -103.477685
where:
bonds (distance) C4'-P energy: -18.611
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -28.829
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: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -253.809420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.809420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.809420 (E_RNA)
where:
Base-Base interactions energy: -148.686
where: short stacking energy: -103.705
Base-Backbone interact. energy: -1.623
local terms energy: -103.500590
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -29.206
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: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -252.112073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.112073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.112073 (E_RNA)
where:
Base-Base interactions energy: -143.769
where: short stacking energy: -92.740
Base-Backbone interact. energy: -0.504
local terms energy: -107.839187
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -24.994
flat angles C4'-P-C4' energy: -22.980
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -28.746
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: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -159.914533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.914533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.914533 (E_RNA)
where:
Base-Base interactions energy: -77.775
where: short stacking energy: -53.039
Base-Backbone interact. energy: -0.229
local terms energy: -81.910808
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -23.601
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -13.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -142.410259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.410259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.410259 (E_RNA)
where:
Base-Base interactions energy: -55.127
where: short stacking energy: -55.127
Base-Backbone interact. energy: 0.901
local terms energy: -88.183587
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -134.591832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.591832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.591832 (E_RNA)
where:
Base-Base interactions energy: -56.352
where: short stacking energy: -56.352
Base-Backbone interact. energy: -0.075
local terms energy: -78.164889
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -113.345943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.345943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.345943 (E_RNA)
where:
Base-Base interactions energy: -37.625
where: short stacking energy: -37.625
Base-Backbone interact. energy: -0.117
local terms energy: -75.603127
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -9.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -113.308325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.308325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.308325 (E_RNA)
where:
Base-Base interactions energy: -41.482
where: short stacking energy: -36.327
Base-Backbone interact. energy: -0.229
local terms energy: -71.596410
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -109.342307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.342307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.342307 (E_RNA)
where:
Base-Base interactions energy: -41.397
where: short stacking energy: -41.397
Base-Backbone interact. energy: -1.154
local terms energy: -66.790863
where:
bonds (distance) C4'-P energy: -8.838
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -89.322243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.322243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.322243 (E_RNA)
where:
Base-Base interactions energy: -22.879
where: short stacking energy: -22.879
Base-Backbone interact. energy: -0.804
local terms energy: -65.638714
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: 1.527
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: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -241.044784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.044784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.044784 (E_RNA)
where:
Base-Base interactions energy: -141.496
where: short stacking energy: -88.765
Base-Backbone interact. energy: -0.099
local terms energy: -99.450418
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -17.490
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -228.381540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.381540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.381540 (E_RNA)
where:
Base-Base interactions energy: -131.746
where: short stacking energy: -88.775
Base-Backbone interact. energy: -0.812
local terms energy: -95.823846
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -21.516
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -20.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -237.520271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.520271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.520271 (E_RNA)
where:
Base-Base interactions energy: -146.229
where: short stacking energy: -90.740
Base-Backbone interact. energy: -0.001
local terms energy: -91.290119
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -28.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -171.708478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.708478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.708478 (E_RNA)
where:
Base-Base interactions energy: -85.368
where: short stacking energy: -59.451
Base-Backbone interact. energy: -0.055
local terms energy: -86.285736
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -11.023
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: 158
Temperature: 1.100000
Total energy: -161.009797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.009797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.009797 (E_RNA)
where:
Base-Base interactions energy: -80.386
where: short stacking energy: -62.002
Base-Backbone interact. energy: 0.395
local terms energy: -81.018972
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -15.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -136.760681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.760681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.760681 (E_RNA)
where:
Base-Base interactions energy: -55.974
where: short stacking energy: -50.414
Base-Backbone interact. energy: 1.252
local terms energy: -82.038456
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -112.260164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.260164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.260164 (E_RNA)
where:
Base-Base interactions energy: -42.607
where: short stacking energy: -23.773
Base-Backbone interact. energy: -0.384
local terms energy: -69.270035
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -105.741587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.741587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.741587 (E_RNA)
where:
Base-Base interactions energy: -39.272
where: short stacking energy: -31.568
Base-Backbone interact. energy: 1.618
local terms energy: -68.087810
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -6.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -109.217977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.217977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.217977 (E_RNA)
where:
Base-Base interactions energy: -40.388
where: short stacking energy: -34.923
Base-Backbone interact. energy: -0.003
local terms energy: -68.826331
where:
bonds (distance) C4'-P energy: -22.267
bonds (distance) P-C4' energy: -21.483
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -97.454210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.454210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.454210 (E_RNA)
where:
Base-Base interactions energy: -28.650
where: short stacking energy: -28.650
Base-Backbone interact. energy: 0.180
local terms energy: -68.984198
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -250.475091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.475091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.475091 (E_RNA)
where:
Base-Base interactions energy: -140.146
where: short stacking energy: -87.308
Base-Backbone interact. energy: -0.005
local terms energy: -110.324105
where:
bonds (distance) C4'-P energy: -23.667
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -27.647
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: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -206.583886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.583886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.583886 (E_RNA)
where:
Base-Base interactions energy: -118.944
where: short stacking energy: -82.322
Base-Backbone interact. energy: -0.182
local terms energy: -87.458090
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -22.041
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -3.630
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -209.617594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.617594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.617594 (E_RNA)
where:
Base-Base interactions energy: -123.558
where: short stacking energy: -68.960
Base-Backbone interact. energy: -0.159
local terms energy: -85.900441
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -14.360
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: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -155.039628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.039628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.039628 (E_RNA)
where:
Base-Base interactions energy: -82.270
where: short stacking energy: -55.220
Base-Backbone interact. energy: -0.148
local terms energy: -72.621366
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -12.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -127.916313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.916313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.916313 (E_RNA)
where:
Base-Base interactions energy: -52.221
where: short stacking energy: -44.002
Base-Backbone interact. energy: 1.633
local terms energy: -77.327883
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -131.403326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.403326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.403326 (E_RNA)
where:
Base-Base interactions energy: -55.855
where: short stacking energy: -47.080
Base-Backbone interact. energy: -0.036
local terms energy: -75.511679
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -4.992
tors. eta vs tors. theta energy: -10.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -116.128373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.128373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.128373 (E_RNA)
where:
Base-Base interactions energy: -42.496
where: short stacking energy: -41.522
Base-Backbone interact. energy: -0.156
local terms energy: -73.477097
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -23.172
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -115.805477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.805477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.805477 (E_RNA)
where:
Base-Base interactions energy: -42.020
where: short stacking energy: -41.068
Base-Backbone interact. energy: -0.086
local terms energy: -73.698917
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -103.413947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.413947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.413947 (E_RNA)
where:
Base-Base interactions energy: -42.485
where: short stacking energy: -42.885
Base-Backbone interact. energy: 0.054
local terms energy: -60.982159
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: 1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -92.908992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.908992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.908992 (E_RNA)
where:
Base-Base interactions energy: -34.617
where: short stacking energy: -30.592
Base-Backbone interact. energy: -0.514
local terms energy: -57.777895
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -22.705
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -11.651
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: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -236.177512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.177512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.177512 (E_RNA)
where:
Base-Base interactions energy: -131.164
where: short stacking energy: -87.323
Base-Backbone interact. energy: -0.224
local terms energy: -104.789078
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -22.759
flat angles P-C4'-P energy: -16.054
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: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -240.526305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.526305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.526305 (E_RNA)
where:
Base-Base interactions energy: -135.786
where: short stacking energy: -86.535
Base-Backbone interact. energy: -0.069
local terms energy: -104.671791
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -24.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -214.948570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.948570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.948570 (E_RNA)
where:
Base-Base interactions energy: -118.918
where: short stacking energy: -79.365
Base-Backbone interact. energy: -0.211
local terms energy: -95.819489
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -20.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -145.546502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.546502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.546502 (E_RNA)
where:
Base-Base interactions energy: -64.798
where: short stacking energy: -53.966
Base-Backbone interact. energy: -0.315
local terms energy: -80.433729
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -146.156872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.156872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.156872 (E_RNA)
where:
Base-Base interactions energy: -53.374
where: short stacking energy: -47.420
Base-Backbone interact. energy: -0.147
local terms energy: -92.635540
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -21.976
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -114.460535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.460535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.460535 (E_RNA)
where:
Base-Base interactions energy: -34.824
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.514
local terms energy: -79.122721
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -110.948737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.948737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.948737 (E_RNA)
where:
Base-Base interactions energy: -38.010
where: short stacking energy: -38.010
Base-Backbone interact. energy: 1.179
local terms energy: -74.118153
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -116.414017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.414017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.414017 (E_RNA)
where:
Base-Base interactions energy: -45.785
where: short stacking energy: -45.785
Base-Backbone interact. energy: -0.559
local terms energy: -70.069972
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -5.681
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: 160
Temperature: 1.300000
Total energy: -103.170776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.170776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.170776 (E_RNA)
where:
Base-Base interactions energy: -28.774
where: short stacking energy: -25.568
Base-Backbone interact. energy: -0.224
local terms energy: -74.172119
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -95.698358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.698358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.698358 (E_RNA)
where:
Base-Base interactions energy: -32.588
where: short stacking energy: -31.418
Base-Backbone interact. energy: -0.371
local terms energy: -62.739192
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -221.017192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.017192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.017192 (E_RNA)
where:
Base-Base interactions energy: -124.907
where: short stacking energy: -75.358
Base-Backbone interact. energy: 1.612
local terms energy: -97.722683
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -220.496122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.496122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.496122 (E_RNA)
where:
Base-Base interactions energy: -120.469
where: short stacking energy: -73.046
Base-Backbone interact. energy: -0.431
local terms energy: -99.595450
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -21.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -224.639629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.639629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.639629 (E_RNA)
where:
Base-Base interactions energy: -131.191
where: short stacking energy: -78.712
Base-Backbone interact. energy: 0.969
local terms energy: -94.418191
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -23.146
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: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -153.486809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.486809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.486809 (E_RNA)
where:
Base-Base interactions energy: -60.474
where: short stacking energy: -60.474
Base-Backbone interact. energy: -0.119
local terms energy: -92.894198
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -21.083
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -128.747585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.747585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.747585 (E_RNA)
where:
Base-Base interactions energy: -54.336
where: short stacking energy: -53.227
Base-Backbone interact. energy: -0.085
local terms energy: -74.326803
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -15.282
tors. eta vs tors. theta energy: -9.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -116.370891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.370891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.370891 (E_RNA)
where:
Base-Base interactions energy: -45.005
where: short stacking energy: -44.427
Base-Backbone interact. energy: -0.138
local terms energy: -71.228371
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -120.234793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.234793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.234793 (E_RNA)
where:
Base-Base interactions energy: -43.542
where: short stacking energy: -39.901
Base-Backbone interact. energy: 0.318
local terms energy: -77.011555
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -20.034
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -99.660605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.660605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.660605 (E_RNA)
where:
Base-Base interactions energy: -35.648
where: short stacking energy: -35.645
Base-Backbone interact. energy: -0.288
local terms energy: -63.724620
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -10.325
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: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -101.182550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.182550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.182550 (E_RNA)
where:
Base-Base interactions energy: -34.528
where: short stacking energy: -34.087
Base-Backbone interact. energy: -0.049
local terms energy: -66.605152
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -101.597920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.597920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.597920 (E_RNA)
where:
Base-Base interactions energy: -37.545
where: short stacking energy: -37.545
Base-Backbone interact. energy: -0.093
local terms energy: -63.960169
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -225.496933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.496933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.496933 (E_RNA)
where:
Base-Base interactions energy: -127.214
where: short stacking energy: -72.701
Base-Backbone interact. energy: 0.719
local terms energy: -99.001385
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -19.659
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -239.381060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.381060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.381060 (E_RNA)
where:
Base-Base interactions energy: -139.182
where: short stacking energy: -84.335
Base-Backbone interact. energy: -0.245
local terms energy: -99.953718
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -13.544
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: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -225.762423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.762423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.762423 (E_RNA)
where:
Base-Base interactions energy: -130.688
where: short stacking energy: -81.907
Base-Backbone interact. energy: -0.469
local terms energy: -94.605466
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -15.317
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: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -144.250242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.250242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.250242 (E_RNA)
where:
Base-Base interactions energy: -51.036
where: short stacking energy: -47.760
Base-Backbone interact. energy: -0.163
local terms energy: -93.051902
where:
bonds (distance) C4'-P energy: -22.167
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -122.124939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.124939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.124939 (E_RNA)
where:
Base-Base interactions energy: -47.908
where: short stacking energy: -44.037
Base-Backbone interact. energy: 1.737
local terms energy: -75.953275
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -23.737
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -8.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -139.178499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.178499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.178499 (E_RNA)
where:
Base-Base interactions energy: -62.363
where: short stacking energy: -52.769
Base-Backbone interact. energy: -0.206
local terms energy: -76.609254
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -133.042267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.042267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.042267 (E_RNA)
where:
Base-Base interactions energy: -55.675
where: short stacking energy: -54.376
Base-Backbone interact. energy: 0.067
local terms energy: -77.434261
where:
bonds (distance) C4'-P energy: -22.847
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -8.732
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: 8, replica: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -110.463062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.463062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.463062 (E_RNA)
where:
Base-Base interactions energy: -44.547
where: short stacking energy: -34.492
Base-Backbone interact. energy: 0.245
local terms energy: -66.161339
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -101.018896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.018896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.018896 (E_RNA)
where:
Base-Base interactions energy: -24.604
where: short stacking energy: -22.861
Base-Backbone interact. energy: 0.587
local terms energy: -77.001800
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -95.619447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.619447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.619447 (E_RNA)
where:
Base-Base interactions energy: -21.067
where: short stacking energy: -21.067
Base-Backbone interact. energy: -0.429
local terms energy: -74.123336
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -230.577973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.577973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.577973 (E_RNA)
where:
Base-Base interactions energy: -129.088
where: short stacking energy: -73.997
Base-Backbone interact. energy: -0.043
local terms energy: -101.446715
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -20.470
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: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -230.948433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.948433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.948433 (E_RNA)
where:
Base-Base interactions energy: -134.883
where: short stacking energy: -91.095
Base-Backbone interact. energy: -0.042
local terms energy: -96.023831
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -23.182
flat angles P-C4'-P energy: -11.393
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: 163
Temperature: 1.000000
Total energy: -219.711262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.711262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.711262 (E_RNA)
where:
Base-Base interactions energy: -122.947
where: short stacking energy: -80.722
Base-Backbone interact. energy: -0.005
local terms energy: -96.759364
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -142.691469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.691469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.691469 (E_RNA)
where:
Base-Base interactions energy: -67.489
where: short stacking energy: -57.340
Base-Backbone interact. energy: -0.277
local terms energy: -74.926037
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -8.129
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: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -176.990730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.990730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.990730 (E_RNA)
where:
Base-Base interactions energy: -88.285
where: short stacking energy: -63.203
Base-Backbone interact. energy: -0.041
local terms energy: -88.664585
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -16.985
tors. eta vs tors. theta energy: -16.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -142.768839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.768839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.768839 (E_RNA)
where:
Base-Base interactions energy: -67.574
where: short stacking energy: -41.028
Base-Backbone interact. energy: 0.909
local terms energy: -76.104511
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -2.939
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: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -123.809075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.809075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.809075 (E_RNA)
where:
Base-Base interactions energy: -45.967
where: short stacking energy: -41.715
Base-Backbone interact. energy: 0.297
local terms energy: -78.138993
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -110.365502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.365502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.365502 (E_RNA)
where:
Base-Base interactions energy: -50.070
where: short stacking energy: -48.835
Base-Backbone interact. energy: 0.437
local terms energy: -60.732744
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -7.521
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: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -108.371369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.371369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.371369 (E_RNA)
where:
Base-Base interactions energy: -34.941
where: short stacking energy: -31.902
Base-Backbone interact. energy: 0.621
local terms energy: -74.050902
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -94.782946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.782946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.782946 (E_RNA)
where:
Base-Base interactions energy: -33.146
where: short stacking energy: -23.973
Base-Backbone interact. energy: -0.397
local terms energy: -61.239904
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: 3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -237.804754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.804754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.804754 (E_RNA)
where:
Base-Base interactions energy: -141.976
where: short stacking energy: -95.759
Base-Backbone interact. energy: -0.099
local terms energy: -95.730260
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -22.453
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: 164
Temperature: 0.950000
Total energy: -206.667441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.667441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.667441 (E_RNA)
where:
Base-Base interactions energy: -113.599
where: short stacking energy: -63.056
Base-Backbone interact. energy: 0.113
local terms energy: -93.180524
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -13.434
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: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -213.665709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.665709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.665709 (E_RNA)
where:
Base-Base interactions energy: -116.585
where: short stacking energy: -82.370
Base-Backbone interact. energy: -0.002
local terms energy: -97.078774
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -23.425
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -23.851
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: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -132.465146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.465146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.465146 (E_RNA)
where:
Base-Base interactions energy: -45.867
where: short stacking energy: -39.830
Base-Backbone interact. energy: 0.293
local terms energy: -86.891527
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -20.216
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -194.083889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.083889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.083889 (E_RNA)
where:
Base-Base interactions energy: -107.733
where: short stacking energy: -56.865
Base-Backbone interact. energy: 0.708
local terms energy: -87.059449
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -158.099381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.099381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.099381 (E_RNA)
where:
Base-Base interactions energy: -86.723
where: short stacking energy: -47.324
Base-Backbone interact. energy: -1.556
local terms energy: -69.820205
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -114.055128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.055128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.055128 (E_RNA)
where:
Base-Base interactions energy: -40.781
where: short stacking energy: -42.281
Base-Backbone interact. energy: -0.028
local terms energy: -73.246086
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -116.895143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.895143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.895143 (E_RNA)
where:
Base-Base interactions energy: -44.850
where: short stacking energy: -39.063
Base-Backbone interact. energy: -0.233
local terms energy: -71.811192
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -102.264159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.264159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.264159 (E_RNA)
where:
Base-Base interactions energy: -40.003
where: short stacking energy: -32.149
Base-Backbone interact. energy: -0.351
local terms energy: -61.909435
where:
bonds (distance) C4'-P energy: -19.381
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -1.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -93.937525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.937525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.937525 (E_RNA)
where:
Base-Base interactions energy: -27.810
where: short stacking energy: -24.480
Base-Backbone interact. energy: -0.283
local terms energy: -65.844491
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -9.264
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: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -243.788139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.788139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.788139 (E_RNA)
where:
Base-Base interactions energy: -139.344
where: short stacking energy: -82.741
Base-Backbone interact. energy: -0.182
local terms energy: -104.262136
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -23.865
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -20.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -229.050705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.050705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.050705 (E_RNA)
where:
Base-Base interactions energy: -122.668
where: short stacking energy: -81.972
Base-Backbone interact. energy: -0.096
local terms energy: -106.286592
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -19.582
flat angles P-C4'-P energy: -17.767
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: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -232.402968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.402968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.402968 (E_RNA)
where:
Base-Base interactions energy: -131.481
where: short stacking energy: -79.904
Base-Backbone interact. energy: -0.398
local terms energy: -100.524760
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -186.936249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.936249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.936249 (E_RNA)
where:
Base-Base interactions energy: -94.846
where: short stacking energy: -59.857
Base-Backbone interact. energy: -0.150
local terms energy: -91.940959
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -144.027432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.027432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.027432 (E_RNA)
where:
Base-Base interactions energy: -59.970
where: short stacking energy: -51.457
Base-Backbone interact. energy: -0.282
local terms energy: -83.775336
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -11.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -129.164154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.164154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.164154 (E_RNA)
where:
Base-Base interactions energy: -52.299
where: short stacking energy: -50.127
Base-Backbone interact. energy: -0.071
local terms energy: -76.794255
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -21.155
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -129.821469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.821469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.821469 (E_RNA)
where:
Base-Base interactions energy: -52.705
where: short stacking energy: -52.481
Base-Backbone interact. energy: 0.033
local terms energy: -77.148784
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -109.167046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.167046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.167046 (E_RNA)
where:
Base-Base interactions energy: -40.636
where: short stacking energy: -39.494
Base-Backbone interact. energy: -0.281
local terms energy: -68.249936
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -112.233890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.233890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.233890 (E_RNA)
where:
Base-Base interactions energy: -32.153
where: short stacking energy: -32.153
Base-Backbone interact. energy: -0.152
local terms energy: -79.928749
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -111.284451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.284451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.284451 (E_RNA)
where:
Base-Base interactions energy: -42.664
where: short stacking energy: -27.335
Base-Backbone interact. energy: -0.862
local terms energy: -67.757888
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -5.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -246.908805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.908805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.908805 (E_RNA)
where:
Base-Base interactions energy: -139.011
where: short stacking energy: -95.937
Base-Backbone interact. energy: -0.018
local terms energy: -107.879549
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -23.081
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -29.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -232.308577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.308577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.308577 (E_RNA)
where:
Base-Base interactions energy: -135.815
where: short stacking energy: -80.179
Base-Backbone interact. energy: -0.008
local terms energy: -96.485918
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -23.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -200.245829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.245829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.245829 (E_RNA)
where:
Base-Base interactions energy: -109.283
where: short stacking energy: -75.939
Base-Backbone interact. energy: -0.064
local terms energy: -90.898969
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -19.645
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: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -222.410208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.410208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.410208 (E_RNA)
where:
Base-Base interactions energy: -123.513
where: short stacking energy: -74.183
Base-Backbone interact. energy: -0.008
local terms energy: -98.888359
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -24.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -139.180423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.180423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.180423 (E_RNA)
where:
Base-Base interactions energy: -59.821
where: short stacking energy: -49.653
Base-Backbone interact. energy: -0.132
local terms energy: -79.227505
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -21.258
flat angles C4'-P-C4' energy: -20.726
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -126.868505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.868505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.868505 (E_RNA)
where:
Base-Base interactions energy: -39.380
where: short stacking energy: -38.304
Base-Backbone interact. energy: 0.199
local terms energy: -87.687542
where:
bonds (distance) C4'-P energy: -22.201
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -114.013289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.013289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.013289 (E_RNA)
where:
Base-Base interactions energy: -40.685
where: short stacking energy: -38.650
Base-Backbone interact. energy: -0.299
local terms energy: -73.029181
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -111.885239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.885239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.885239 (E_RNA)
where:
Base-Base interactions energy: -36.657
where: short stacking energy: -34.534
Base-Backbone interact. energy: -0.258
local terms energy: -74.970546
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -129.631632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.631632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.631632 (E_RNA)
where:
Base-Base interactions energy: -54.956
where: short stacking energy: -54.956
Base-Backbone interact. energy: -0.073
local terms energy: -74.602185
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -23.589
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -9.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -93.011815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.011815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.011815 (E_RNA)
where:
Base-Base interactions energy: -37.678
where: short stacking energy: -24.292
Base-Backbone interact. energy: -0.165
local terms energy: -55.168952
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: 0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -249.070540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.070540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.070540 (E_RNA)
where:
Base-Base interactions energy: -144.640
where: short stacking energy: -93.715
Base-Backbone interact. energy: -0.085
local terms energy: -104.345010
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -26.060
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -27.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -246.885916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.885916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.885916 (E_RNA)
where:
Base-Base interactions energy: -145.970
where: short stacking energy: -93.359
Base-Backbone interact. energy: -0.100
local terms energy: -100.815041
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -28.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -183.164417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.164417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.164417 (E_RNA)
where:
Base-Base interactions energy: -89.168
where: short stacking energy: -58.508
Base-Backbone interact. energy: -0.123
local terms energy: -93.873593
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -15.244
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: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -189.359111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.359111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.359111 (E_RNA)
where:
Base-Base interactions energy: -105.391
where: short stacking energy: -62.553
Base-Backbone interact. energy: -0.173
local terms energy: -83.794752
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -13.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -139.166089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.166089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.166089 (E_RNA)
where:
Base-Base interactions energy: -72.045
where: short stacking energy: -42.898
Base-Backbone interact. energy: -0.310
local terms energy: -66.811569
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -134.001666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.001666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.001666 (E_RNA)
where:
Base-Base interactions energy: -50.154
where: short stacking energy: -49.109
Base-Backbone interact. energy: 1.042
local terms energy: -84.889720
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -122.667013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.667013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.667013 (E_RNA)
where:
Base-Base interactions energy: -47.953
where: short stacking energy: -46.391
Base-Backbone interact. energy: 1.470
local terms energy: -76.184343
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -12.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -106.027476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.027476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.027476 (E_RNA)
where:
Base-Base interactions energy: -38.386
where: short stacking energy: -38.386
Base-Backbone interact. energy: -0.465
local terms energy: -67.176662
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -111.576156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.576156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.576156 (E_RNA)
where:
Base-Base interactions energy: -33.389
where: short stacking energy: -32.194
Base-Backbone interact. energy: -0.012
local terms energy: -78.175589
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -93.927092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.927092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.927092 (E_RNA)
where:
Base-Base interactions energy: -30.556
where: short stacking energy: -28.214
Base-Backbone interact. energy: 0.344
local terms energy: -63.715275
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -251.418235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.418235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.418235 (E_RNA)
where:
Base-Base interactions energy: -144.438
where: short stacking energy: -95.802
Base-Backbone interact. energy: -0.046
local terms energy: -106.933644
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -27.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -227.485548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.485548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.485548 (E_RNA)
where:
Base-Base interactions energy: -125.360
where: short stacking energy: -78.087
Base-Backbone interact. energy: -1.133
local terms energy: -100.992403
where:
bonds (distance) C4'-P energy: -23.799
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -201.207169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.207169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.207169 (E_RNA)
where:
Base-Base interactions energy: -100.584
where: short stacking energy: -69.629
Base-Backbone interact. energy: -0.288
local terms energy: -100.335051
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -14.944
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: 4, replica: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -181.117914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.117914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.117914 (E_RNA)
where:
Base-Base interactions energy: -92.452
where: short stacking energy: -67.901
Base-Backbone interact. energy: -0.196
local terms energy: -88.469122
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -17.455
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: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -142.205542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.205542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.205542 (E_RNA)
where:
Base-Base interactions energy: -62.071
where: short stacking energy: -45.844
Base-Backbone interact. energy: -0.243
local terms energy: -79.890702
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -11.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -142.088879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.088879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.088879 (E_RNA)
where:
Base-Base interactions energy: -63.119
where: short stacking energy: -44.455
Base-Backbone interact. energy: -0.902
local terms energy: -78.068134
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -10.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -120.426965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.426965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.426965 (E_RNA)
where:
Base-Base interactions energy: -46.711
where: short stacking energy: -46.711
Base-Backbone interact. energy: 1.494
local terms energy: -75.209798
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -5.454
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: 8, replica: 1
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -115.316432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.316432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.316432 (E_RNA)
where:
Base-Base interactions energy: -43.622
where: short stacking energy: -43.622
Base-Backbone interact. energy: 0.884
local terms energy: -72.578863
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -7.957
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: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -108.276763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.276763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.276763 (E_RNA)
where:
Base-Base interactions energy: -33.820
where: short stacking energy: -32.074
Base-Backbone interact. energy: -0.273
local terms energy: -74.183198
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -9.494
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: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -97.718547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.718547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.718547 (E_RNA)
where:
Base-Base interactions energy: -31.944
where: short stacking energy: -31.944
Base-Backbone interact. energy: -0.321
local terms energy: -65.453974
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -249.161903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.161903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.161903 (E_RNA)
where:
Base-Base interactions energy: -144.490
where: short stacking energy: -91.666
Base-Backbone interact. energy: -0.072
local terms energy: -104.600723
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -27.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -227.491191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.491191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.491191 (E_RNA)
where:
Base-Base interactions energy: -134.013
where: short stacking energy: -84.078
Base-Backbone interact. energy: -0.107
local terms energy: -93.371542
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -21.515
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: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -205.681934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.681934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.681934 (E_RNA)
where:
Base-Base interactions energy: -108.201
where: short stacking energy: -77.768
Base-Backbone interact. energy: -0.265
local terms energy: -97.215572
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -21.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -196.732620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.732620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.732620 (E_RNA)
where:
Base-Base interactions energy: -106.671
where: short stacking energy: -74.408
Base-Backbone interact. energy: -0.147
local terms energy: -89.914666
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -23.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -137.836736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.836736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.836736 (E_RNA)
where:
Base-Base interactions energy: -61.092
where: short stacking energy: -49.168
Base-Backbone interact. energy: 0.475
local terms energy: -77.220370
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -138.697881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.697881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.697881 (E_RNA)
where:
Base-Base interactions energy: -55.346
where: short stacking energy: -55.346
Base-Backbone interact. energy: -0.194
local terms energy: -83.158536
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -12.862
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: 7, replica: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -130.657584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.657584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.657584 (E_RNA)
where:
Base-Base interactions energy: -64.954
where: short stacking energy: -41.532
Base-Backbone interact. energy: 0.524
local terms energy: -66.227024
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -7.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -127.426135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.426135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.426135 (E_RNA)
where:
Base-Base interactions energy: -56.303
where: short stacking energy: -47.478
Base-Backbone interact. energy: -0.035
local terms energy: -71.087617
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -13.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -111.808848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.808848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.808848 (E_RNA)
where:
Base-Base interactions energy: -33.424
where: short stacking energy: -33.424
Base-Backbone interact. energy: -0.028
local terms energy: -78.357162
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -93.209245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.209245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.209245 (E_RNA)
where:
Base-Base interactions energy: -35.489
where: short stacking energy: -25.027
Base-Backbone interact. energy: 1.252
local terms energy: -58.971984
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -21.836
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -4.653
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: 1, replica: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -233.236413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.236413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.236413 (E_RNA)
where:
Base-Base interactions energy: -135.368
where: short stacking energy: -94.274
Base-Backbone interact. energy: -0.360
local terms energy: -97.507887
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -23.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -231.610182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.610182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.610182 (E_RNA)
where:
Base-Base interactions energy: -127.046
where: short stacking energy: -76.199
Base-Backbone interact. energy: -0.003
local terms energy: -104.562032
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -24.132
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: 170
Temperature: 1.000000
Total energy: -193.921937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.921937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.921937 (E_RNA)
where:
Base-Base interactions energy: -100.285
where: short stacking energy: -69.889
Base-Backbone interact. energy: 0.710
local terms energy: -94.346778
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -189.423950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.423950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.423950 (E_RNA)
where:
Base-Base interactions energy: -95.668
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.996
local terms energy: -92.760332
where:
bonds (distance) C4'-P energy: -22.267
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -124.033000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.033000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.033000 (E_RNA)
where:
Base-Base interactions energy: -49.261
where: short stacking energy: -50.432
Base-Backbone interact. energy: -0.683
local terms energy: -74.088986
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -119.716400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.716400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.716400 (E_RNA)
where:
Base-Base interactions energy: -40.242
where: short stacking energy: -36.198
Base-Backbone interact. energy: -0.580
local terms energy: -78.894224
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -120.853383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.853383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.853383 (E_RNA)
where:
Base-Base interactions energy: -56.082
where: short stacking energy: -30.653
Base-Backbone interact. energy: -1.002
local terms energy: -63.769068
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -23.192
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: 0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -112.053718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.053718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.053718 (E_RNA)
where:
Base-Base interactions energy: -34.489
where: short stacking energy: -29.632
Base-Backbone interact. energy: -0.569
local terms energy: -76.995155
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -111.207033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.207033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.207033 (E_RNA)
where:
Base-Base interactions energy: -32.832
where: short stacking energy: -32.334
Base-Backbone interact. energy: 1.262
local terms energy: -79.637042
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -8.681
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: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -112.125666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.125666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.125666 (E_RNA)
where:
Base-Base interactions energy: -61.423
where: short stacking energy: -47.202
Base-Backbone interact. energy: -0.389
local terms energy: -50.313208
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: 1.665
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: 1, replica: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -238.956867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.956867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.956867 (E_RNA)
where:
Base-Base interactions energy: -134.004
where: short stacking energy: -88.668
Base-Backbone interact. energy: -0.056
local terms energy: -104.896474
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -24.539
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: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -240.742426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.742426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.742426 (E_RNA)
where:
Base-Base interactions energy: -133.973
where: short stacking energy: -90.051
Base-Backbone interact. energy: -0.278
local terms energy: -106.491437
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -21.880
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: 10
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -199.928818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.928818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.928818 (E_RNA)
where:
Base-Base interactions energy: -97.749
where: short stacking energy: -72.279
Base-Backbone interact. energy: 0.954
local terms energy: -103.134069
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -22.650
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -23.741
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: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -199.936552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.936552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.936552 (E_RNA)
where:
Base-Base interactions energy: -106.264
where: short stacking energy: -69.312
Base-Backbone interact. energy: 0.283
local terms energy: -93.955081
where:
bonds (distance) C4'-P energy: -22.090
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -16.821
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: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -152.417495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.417495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.417495 (E_RNA)
where:
Base-Base interactions energy: -60.983
where: short stacking energy: -60.171
Base-Backbone interact. energy: -0.251
local terms energy: -91.183078
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -18.524
tors. eta vs tors. theta energy: -14.296
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: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -133.783998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.783998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.783998 (E_RNA)
where:
Base-Base interactions energy: -53.909
where: short stacking energy: -53.909
Base-Backbone interact. energy: -0.194
local terms energy: -79.681184
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -117.647502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.647502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.647502 (E_RNA)
where:
Base-Base interactions energy: -47.419
where: short stacking energy: -46.006
Base-Backbone interact. energy: -0.175
local terms energy: -70.052790
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -106.454476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.454476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.454476 (E_RNA)
where:
Base-Base interactions energy: -38.999
where: short stacking energy: -30.149
Base-Backbone interact. energy: 0.790
local terms energy: -68.245726
where:
bonds (distance) C4'-P energy: -21.912
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -3.339
tors. eta vs tors. theta energy: -0.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -141.765325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.765325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.765325 (E_RNA)
where:
Base-Base interactions energy: -63.401
where: short stacking energy: -46.262
Base-Backbone interact. energy: -0.450
local terms energy: -77.914213
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -92.198832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.198832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.198832 (E_RNA)
where:
Base-Base interactions energy: -31.137
where: short stacking energy: -29.374
Base-Backbone interact. energy: -0.250
local terms energy: -60.811873
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -2.121
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: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -241.752907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.752907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.752907 (E_RNA)
where:
Base-Base interactions energy: -139.979
where: short stacking energy: -94.055
Base-Backbone interact. energy: -0.116
local terms energy: -101.657217
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -14.756
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: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -256.048838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.048838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.048838 (E_RNA)
where:
Base-Base interactions energy: -146.088
where: short stacking energy: -95.048
Base-Backbone interact. energy: -0.149
local terms energy: -109.811552
where:
bonds (distance) C4'-P energy: -21.032
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -28.174
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: 172
Temperature: 1.000000
Total energy: -208.483341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.483341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.483341 (E_RNA)
where:
Base-Base interactions energy: -110.765
where: short stacking energy: -81.108
Base-Backbone interact. energy: -0.255
local terms energy: -97.463289
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -22.407
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: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -180.002548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.002548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.002548 (E_RNA)
where:
Base-Base interactions energy: -90.773
where: short stacking energy: -58.967
Base-Backbone interact. energy: -0.091
local terms energy: -89.138132
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -11.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -125.092571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.092571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.092571 (E_RNA)
where:
Base-Base interactions energy: -46.817
where: short stacking energy: -41.902
Base-Backbone interact. energy: -0.207
local terms energy: -78.068673
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -12.577
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: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -136.294032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.294032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.294032 (E_RNA)
where:
Base-Base interactions energy: -54.120
where: short stacking energy: -53.897
Base-Backbone interact. energy: -0.024
local terms energy: -82.150224
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -137.462688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.462688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.462688 (E_RNA)
where:
Base-Base interactions energy: -60.603
where: short stacking energy: -50.997
Base-Backbone interact. energy: 2.102
local terms energy: -78.960962
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -10.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -108.418430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.418430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.418430 (E_RNA)
where:
Base-Base interactions energy: -38.648
where: short stacking energy: -34.000
Base-Backbone interact. energy: -0.157
local terms energy: -69.612982
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -7.725
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: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -112.795189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.795189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.795189 (E_RNA)
where:
Base-Base interactions energy: -42.203
where: short stacking energy: -40.055
Base-Backbone interact. energy: -0.142
local terms energy: -70.449917
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -12.594
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: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -97.875812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.875812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.875812 (E_RNA)
where:
Base-Base interactions energy: -39.650
where: short stacking energy: -39.750
Base-Backbone interact. energy: -0.346
local terms energy: -57.880441
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -8.007
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: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -250.942674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.942674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.942674 (E_RNA)
where:
Base-Base interactions energy: -152.083
where: short stacking energy: -93.661
Base-Backbone interact. energy: -0.228
local terms energy: -98.631873
where:
bonds (distance) C4'-P energy: -22.370
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -22.014
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -24.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -217.227297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.227297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.227297 (E_RNA)
where:
Base-Base interactions energy: -117.925
where: short stacking energy: -75.551
Base-Backbone interact. energy: -0.284
local terms energy: -99.018287
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -21.751
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: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -212.000382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.000382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.000382 (E_RNA)
where:
Base-Base interactions energy: -122.517
where: short stacking energy: -77.902
Base-Backbone interact. energy: -0.962
local terms energy: -88.521928
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -19.421
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: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -192.578940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.578940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.578940 (E_RNA)
where:
Base-Base interactions energy: -98.462
where: short stacking energy: -71.948
Base-Backbone interact. energy: 0.276
local terms energy: -94.392580
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -14.291
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: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -134.253369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.253369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.253369 (E_RNA)
where:
Base-Base interactions energy: -51.791
where: short stacking energy: -45.774
Base-Backbone interact. energy: 1.238
local terms energy: -83.699936
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -12.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -119.228594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.228594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.228594 (E_RNA)
where:
Base-Base interactions energy: -42.379
where: short stacking energy: -42.379
Base-Backbone interact. energy: -1.367
local terms energy: -75.482898
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -9.455
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: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -119.674375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.674375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.674375 (E_RNA)
where:
Base-Base interactions energy: -42.827
where: short stacking energy: -42.827
Base-Backbone interact. energy: -0.179
local terms energy: -76.668590
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -112.852473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.852473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.852473 (E_RNA)
where:
Base-Base interactions energy: -45.162
where: short stacking energy: -37.867
Base-Backbone interact. energy: 1.598
local terms energy: -69.288059
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -104.287220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.287220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.287220 (E_RNA)
where:
Base-Base interactions energy: -37.358
where: short stacking energy: -36.992
Base-Backbone interact. energy: -0.230
local terms energy: -66.699434
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -8.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -100.826413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.826413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.826413 (E_RNA)
where:
Base-Base interactions energy: -29.429
where: short stacking energy: -26.091
Base-Backbone interact. energy: -0.182
local terms energy: -71.215999
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -261.509187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.509187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.509187 (E_RNA)
where:
Base-Base interactions energy: -155.688
where: short stacking energy: -104.668
Base-Backbone interact. energy: -0.044
local terms energy: -105.777399
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -28.319
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: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -230.586446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.586446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.586446 (E_RNA)
where:
Base-Base interactions energy: -130.660
where: short stacking energy: -77.034
Base-Backbone interact. energy: -0.300
local terms energy: -99.626237
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -23.099
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -15.121
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: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -217.876755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.876755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.876755 (E_RNA)
where:
Base-Base interactions energy: -125.890
where: short stacking energy: -70.819
Base-Backbone interact. energy: -0.265
local terms energy: -91.721277
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -24.414
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -171.126508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.126508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.126508 (E_RNA)
where:
Base-Base interactions energy: -81.591
where: short stacking energy: -54.073
Base-Backbone interact. energy: -0.024
local terms energy: -89.511372
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -132.663851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.663851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.663851 (E_RNA)
where:
Base-Base interactions energy: -44.863
where: short stacking energy: -44.654
Base-Backbone interact. energy: -0.288
local terms energy: -87.513110
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -16.199
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: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -143.664076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.664076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.664076 (E_RNA)
where:
Base-Base interactions energy: -65.050
where: short stacking energy: -44.069
Base-Backbone interact. energy: -0.246
local terms energy: -78.367738
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -22.211
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -10.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -117.911203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.911203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.911203 (E_RNA)
where:
Base-Base interactions energy: -43.935
where: short stacking energy: -43.935
Base-Backbone interact. energy: -0.171
local terms energy: -73.804911
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -5.892
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: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -113.768827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.768827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.768827 (E_RNA)
where:
Base-Base interactions energy: -41.376
where: short stacking energy: -40.695
Base-Backbone interact. energy: -0.118
local terms energy: -72.274373
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -109.004137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.004137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.004137 (E_RNA)
where:
Base-Base interactions energy: -36.460
where: short stacking energy: -36.460
Base-Backbone interact. energy: 0.103
local terms energy: -72.647259
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -92.346843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.346843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.346843 (E_RNA)
where:
Base-Base interactions energy: -26.999
where: short stacking energy: -26.932
Base-Backbone interact. energy: -0.289
local terms energy: -65.059292
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -4.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -258.360403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.360403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.360403 (E_RNA)
where:
Base-Base interactions energy: -147.406
where: short stacking energy: -102.990
Base-Backbone interact. energy: -0.006
local terms energy: -110.948473
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -31.299
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: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -249.629271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.629271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.629271 (E_RNA)
where:
Base-Base interactions energy: -144.526
where: short stacking energy: -84.072
Base-Backbone interact. energy: -0.352
local terms energy: -104.751675
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -24.811
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: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -208.936146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.936146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.936146 (E_RNA)
where:
Base-Base interactions energy: -121.754
where: short stacking energy: -73.424
Base-Backbone interact. energy: -0.159
local terms energy: -87.023329
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -19.018
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -18.491
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: 175
Temperature: 1.050000
Total energy: -183.816357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.816357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.816357 (E_RNA)
where:
Base-Base interactions energy: -93.985
where: short stacking energy: -59.202
Base-Backbone interact. energy: 0.653
local terms energy: -90.484359
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -121.997157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.997157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.997157 (E_RNA)
where:
Base-Base interactions energy: -50.279
where: short stacking energy: -50.279
Base-Backbone interact. energy: -0.208
local terms energy: -71.509843
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -121.705920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.705920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.705920 (E_RNA)
where:
Base-Base interactions energy: -46.523
where: short stacking energy: -42.388
Base-Backbone interact. energy: 2.805
local terms energy: -77.987892
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -123.019036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.019036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.019036 (E_RNA)
where:
Base-Base interactions energy: -48.227
where: short stacking energy: -40.553
Base-Backbone interact. energy: -0.494
local terms energy: -74.297918
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -13.356
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: 8, replica: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -122.281908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.281908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.281908 (E_RNA)
where:
Base-Base interactions energy: -38.050
where: short stacking energy: -38.050
Base-Backbone interact. energy: -0.132
local terms energy: -84.099817
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -22.361
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -10.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -104.532220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.532220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.532220 (E_RNA)
where:
Base-Base interactions energy: -28.615
where: short stacking energy: -28.497
Base-Backbone interact. energy: 0.162
local terms energy: -76.079577
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -94.380280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.380280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.380280 (E_RNA)
where:
Base-Base interactions energy: -38.343
where: short stacking energy: -37.455
Base-Backbone interact. energy: -0.403
local terms energy: -55.634908
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -251.381785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.381785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.381785 (E_RNA)
where:
Base-Base interactions energy: -147.943
where: short stacking energy: -94.742
Base-Backbone interact. energy: -0.089
local terms energy: -103.350166
where:
bonds (distance) C4'-P energy: -20.775
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -25.372
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: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -237.144778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.144778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.144778 (E_RNA)
where:
Base-Base interactions energy: -135.455
where: short stacking energy: -84.883
Base-Backbone interact. energy: -0.108
local terms energy: -101.581216
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -26.174
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: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -208.414950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.414950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.414950 (E_RNA)
where:
Base-Base interactions energy: -121.330
where: short stacking energy: -80.811
Base-Backbone interact. energy: -0.288
local terms energy: -86.796864
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -179.219915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.219915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.219915 (E_RNA)
where:
Base-Base interactions energy: -93.088
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.563
local terms energy: -85.569044
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -10.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -129.030441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.030441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.030441 (E_RNA)
where:
Base-Base interactions energy: -59.133
where: short stacking energy: -32.466
Base-Backbone interact. energy: -0.277
local terms energy: -69.620082
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -4.701
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: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -137.093634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.093634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.093634 (E_RNA)
where:
Base-Base interactions energy: -52.284
where: short stacking energy: -52.284
Base-Backbone interact. energy: -0.170
local terms energy: -84.639522
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -118.450972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.450972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.450972 (E_RNA)
where:
Base-Base interactions energy: -45.163
where: short stacking energy: -42.235
Base-Backbone interact. energy: -0.324
local terms energy: -72.964212
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -7.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -115.031821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.031821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.031821 (E_RNA)
where:
Base-Base interactions energy: -44.207
where: short stacking energy: -39.185
Base-Backbone interact. energy: -0.189
local terms energy: -70.635824
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -99.715331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.715331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.715331 (E_RNA)
where:
Base-Base interactions energy: -42.970
where: short stacking energy: -28.175
Base-Backbone interact. energy: 3.289
local terms energy: -60.034570
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: 3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -108.000647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.000647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.000647 (E_RNA)
where:
Base-Base interactions energy: -42.960
where: short stacking energy: -29.544
Base-Backbone interact. energy: -0.104
local terms energy: -64.936595
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -6.284
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: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -244.784441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.784441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.784441 (E_RNA)
where:
Base-Base interactions energy: -144.130
where: short stacking energy: -86.030
Base-Backbone interact. energy: -0.043
local terms energy: -100.611372
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -26.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -251.264434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.264434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.264434 (E_RNA)
where:
Base-Base interactions energy: -153.789
where: short stacking energy: -90.073
Base-Backbone interact. energy: -0.004
local terms energy: -97.471517
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -25.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -200.909024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.909024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.909024 (E_RNA)
where:
Base-Base interactions energy: -105.981
where: short stacking energy: -65.148
Base-Backbone interact. energy: -0.038
local terms energy: -94.889159
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -15.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -186.925015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.925015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.925015 (E_RNA)
where:
Base-Base interactions energy: -96.001
where: short stacking energy: -69.939
Base-Backbone interact. energy: -0.288
local terms energy: -90.636441
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -16.447
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: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -149.508887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.508887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.508887 (E_RNA)
where:
Base-Base interactions energy: -58.493
where: short stacking energy: -53.897
Base-Backbone interact. energy: -0.243
local terms energy: -90.773411
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -15.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -127.735352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.735352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.735352 (E_RNA)
where:
Base-Base interactions energy: -51.164
where: short stacking energy: -49.725
Base-Backbone interact. energy: -0.493
local terms energy: -76.078431
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -105.177985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.177985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.177985 (E_RNA)
where:
Base-Base interactions energy: -41.885
where: short stacking energy: -35.712
Base-Backbone interact. energy: -0.218
local terms energy: -63.075235
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -118.390874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.390874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.390874 (E_RNA)
where:
Base-Base interactions energy: -52.039
where: short stacking energy: -24.961
Base-Backbone interact. energy: -0.452
local terms energy: -65.900163
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -0.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -117.716563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.716563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.716563 (E_RNA)
where:
Base-Base interactions energy: -43.129
where: short stacking energy: -43.129
Base-Backbone interact. energy: -0.107
local terms energy: -74.479994
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -11.442
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: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -103.730226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.730226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.730226 (E_RNA)
where:
Base-Base interactions energy: -42.315
where: short stacking energy: -27.906
Base-Backbone interact. energy: -0.240
local terms energy: -61.175177
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: 1.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -239.747407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.747407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.747407 (E_RNA)
where:
Base-Base interactions energy: -141.653
where: short stacking energy: -83.988
Base-Backbone interact. energy: -0.132
local terms energy: -97.961779
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -23.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -245.538153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.538153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.538153 (E_RNA)
where:
Base-Base interactions energy: -141.338
where: short stacking energy: -87.249
Base-Backbone interact. energy: -0.112
local terms energy: -104.088846
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -26.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -234.019779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.019779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.019779 (E_RNA)
where:
Base-Base interactions energy: -134.717
where: short stacking energy: -89.375
Base-Backbone interact. energy: -0.532
local terms energy: -98.770864
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -196.626746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.626746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.626746 (E_RNA)
where:
Base-Base interactions energy: -96.238
where: short stacking energy: -69.232
Base-Backbone interact. energy: -0.204
local terms energy: -100.184382
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -24.848
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: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -175.026360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.026360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.026360 (E_RNA)
where:
Base-Base interactions energy: -90.059
where: short stacking energy: -63.382
Base-Backbone interact. energy: -0.006
local terms energy: -84.961978
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -134.777219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.777219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.777219 (E_RNA)
where:
Base-Base interactions energy: -61.112
where: short stacking energy: -42.481
Base-Backbone interact. energy: -0.434
local terms energy: -73.231704
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -134.544976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.544976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.544976 (E_RNA)
where:
Base-Base interactions energy: -63.365
where: short stacking energy: -45.671
Base-Backbone interact. energy: 0.622
local terms energy: -71.802202
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -6.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -100.756151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.756151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.756151 (E_RNA)
where:
Base-Base interactions energy: -31.665
where: short stacking energy: -30.790
Base-Backbone interact. energy: 0.430
local terms energy: -69.520526
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -8.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -99.936063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.936063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.936063 (E_RNA)
where:
Base-Base interactions energy: -34.833
where: short stacking energy: -34.833
Base-Backbone interact. energy: -0.476
local terms energy: -64.627593
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -13.592
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: 178
Temperature: 1.350000
Total energy: -95.922248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.922248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.922248 (E_RNA)
where:
Base-Base interactions energy: -27.373
where: short stacking energy: -25.345
Base-Backbone interact. energy: -0.140
local terms energy: -68.409393
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: 2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -254.129313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.129313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.129313 (E_RNA)
where:
Base-Base interactions energy: -148.465
where: short stacking energy: -94.286
Base-Backbone interact. energy: 1.540
local terms energy: -107.204961
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -16.067
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: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -236.883660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.883660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.883660 (E_RNA)
where:
Base-Base interactions energy: -131.174
where: short stacking energy: -87.410
Base-Backbone interact. energy: -0.098
local terms energy: -105.611463
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: -24.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -218.978034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.978034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.978034 (E_RNA)
where:
Base-Base interactions energy: -120.595
where: short stacking energy: -69.969
Base-Backbone interact. energy: -0.024
local terms energy: -98.359520
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -16.741
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: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -184.184850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.184850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.184850 (E_RNA)
where:
Base-Base interactions energy: -93.544
where: short stacking energy: -62.553
Base-Backbone interact. energy: -0.070
local terms energy: -90.570751
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -10.475
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: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -178.523266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.523266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.523266 (E_RNA)
where:
Base-Base interactions energy: -91.146
where: short stacking energy: -67.582
Base-Backbone interact. energy: -0.022
local terms energy: -87.356143
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -15.702
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: 179
Temperature: 1.150000
Total energy: -131.080511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.080511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.080511 (E_RNA)
where:
Base-Base interactions energy: -57.540
where: short stacking energy: -40.674
Base-Backbone interact. energy: -0.362
local terms energy: -73.178263
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -7.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -123.666766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.666766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.666766 (E_RNA)
where:
Base-Base interactions energy: -45.328
where: short stacking energy: -45.328
Base-Backbone interact. energy: -0.401
local terms energy: -77.937384
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -10.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -114.973119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.973119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.973119 (E_RNA)
where:
Base-Base interactions energy: -47.444
where: short stacking energy: -46.671
Base-Backbone interact. energy: 0.104
local terms energy: -67.633568
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -18.807
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -8.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -101.922828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.922828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.922828 (E_RNA)
where:
Base-Base interactions energy: -36.152
where: short stacking energy: -36.152
Base-Backbone interact. energy: -1.700
local terms energy: -64.070253
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -3.278
tors. eta vs tors. theta energy: -6.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -91.277579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.277579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.277579 (E_RNA)
where:
Base-Base interactions energy: -22.969
where: short stacking energy: -22.102
Base-Backbone interact. energy: 0.763
local terms energy: -69.072276
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -268.338361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.338361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.338361 (E_RNA)
where:
Base-Base interactions energy: -159.932
where: short stacking energy: -86.690
Base-Backbone interact. energy: -0.171
local terms energy: -108.235700
where:
bonds (distance) C4'-P energy: -23.840
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -18.182
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: 2, replica: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -254.089625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.089625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.089625 (E_RNA)
where:
Base-Base interactions energy: -149.653
where: short stacking energy: -100.174
Base-Backbone interact. energy: -0.016
local terms energy: -104.420261
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: -28.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -231.963878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.963878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.963878 (E_RNA)
where:
Base-Base interactions energy: -139.551
where: short stacking energy: -81.900
Base-Backbone interact. energy: 0.099
local terms energy: -92.511080
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -23.607
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -179.504865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.504865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.504865 (E_RNA)
where:
Base-Base interactions energy: -92.815
where: short stacking energy: -63.991
Base-Backbone interact. energy: -0.210
local terms energy: -86.480100
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -172.073281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.073281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.073281 (E_RNA)
where:
Base-Base interactions energy: -85.803
where: short stacking energy: -57.787
Base-Backbone interact. energy: -1.421
local terms energy: -84.849219
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -13.784
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: 180
Temperature: 1.150000
Total energy: -119.856379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.856379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.856379 (E_RNA)
where:
Base-Base interactions energy: -38.293
where: short stacking energy: -38.293
Base-Backbone interact. energy: -0.291
local terms energy: -81.272924
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -12.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -119.820304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.820304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.820304 (E_RNA)
where:
Base-Base interactions energy: -39.482
where: short stacking energy: -25.768
Base-Backbone interact. energy: -0.098
local terms energy: -80.240159
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -6.330
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: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -121.502817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.502817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.502817 (E_RNA)
where:
Base-Base interactions energy: -51.440
where: short stacking energy: -33.247
Base-Backbone interact. energy: -0.743
local terms energy: -69.319208
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -95.747330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.747330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.747330 (E_RNA)
where:
Base-Base interactions energy: -35.838
where: short stacking energy: -34.316
Base-Backbone interact. energy: 0.428
local terms energy: -60.336792
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -9.247
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: 10, replica: 3
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -101.868772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.868772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.868772 (E_RNA)
where:
Base-Base interactions energy: -32.638
where: short stacking energy: -32.638
Base-Backbone interact. energy: -0.315
local terms energy: -68.915486
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: 0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -247.081376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.081376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.081376 (E_RNA)
where:
Base-Base interactions energy: -143.918
where: short stacking energy: -92.352
Base-Backbone interact. energy: -0.124
local terms energy: -103.039729
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -252.590068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.590068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.590068 (E_RNA)
where:
Base-Base interactions energy: -146.574
where: short stacking energy: -91.887
Base-Backbone interact. energy: -0.048
local terms energy: -105.967859
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -21.384
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: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -213.050279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.050279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.050279 (E_RNA)
where:
Base-Base interactions energy: -107.411
where: short stacking energy: -69.535
Base-Backbone interact. energy: 1.201
local terms energy: -106.840382
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -26.086
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -171.084161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.084161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.084161 (E_RNA)
where:
Base-Base interactions energy: -90.375
where: short stacking energy: -55.282
Base-Backbone interact. energy: -0.118
local terms energy: -80.590806
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -8.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -185.722066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.722066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.722066 (E_RNA)
where:
Base-Base interactions energy: -95.371
where: short stacking energy: -65.204
Base-Backbone interact. energy: -0.122
local terms energy: -90.228887
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -15.683
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: 181
Temperature: 1.150000
Total energy: -130.019408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.019408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.019408 (E_RNA)
where:
Base-Base interactions energy: -52.947
where: short stacking energy: -49.669
Base-Backbone interact. energy: -0.367
local terms energy: -76.705862
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -11.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -116.242112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.242112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.242112 (E_RNA)
where:
Base-Base interactions energy: -43.658
where: short stacking energy: -41.278
Base-Backbone interact. energy: -0.395
local terms energy: -72.189282
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -6.431
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: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -109.851695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.851695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.851695 (E_RNA)
where:
Base-Base interactions energy: -44.678
where: short stacking energy: -44.678
Base-Backbone interact. energy: 0.319
local terms energy: -65.492504
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -10.665
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: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -111.059856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.059856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.059856 (E_RNA)
where:
Base-Base interactions energy: -41.411
where: short stacking energy: -30.787
Base-Backbone interact. energy: -0.143
local terms energy: -69.505795
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -103.929907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.929907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.929907 (E_RNA)
where:
Base-Base interactions energy: -38.325
where: short stacking energy: -34.134
Base-Backbone interact. energy: 0.981
local terms energy: -66.586263
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -270.284537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.284537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.284537 (E_RNA)
where:
Base-Base interactions energy: -153.221
where: short stacking energy: -95.462
Base-Backbone interact. energy: -0.690
local terms energy: -116.373175
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -23.394
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -30.391
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: 8
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -251.630000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.630000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.630000 (E_RNA)
where:
Base-Base interactions energy: -149.990
where: short stacking energy: -99.689
Base-Backbone interact. energy: -0.155
local terms energy: -101.484265
where:
bonds (distance) C4'-P energy: -22.541
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -29.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -198.710238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.710238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.710238 (E_RNA)
where:
Base-Base interactions energy: -109.997
where: short stacking energy: -65.642
Base-Backbone interact. energy: -0.144
local terms energy: -88.569123
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -23.245
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -13.464
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: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -180.003352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.003352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.003352 (E_RNA)
where:
Base-Base interactions energy: -107.160
where: short stacking energy: -51.496
Base-Backbone interact. energy: -0.805
local terms energy: -72.038523
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -10.434
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: 1
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -121.541628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.541628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.541628 (E_RNA)
where:
Base-Base interactions energy: -50.371
where: short stacking energy: -44.762
Base-Backbone interact. energy: -0.831
local terms energy: -70.339761
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -186.584704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.584704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.584704 (E_RNA)
where:
Base-Base interactions energy: -91.608
where: short stacking energy: -63.913
Base-Backbone interact. energy: -0.059
local terms energy: -94.917637
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -14.574
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: 7, replica: 6
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -114.179089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.179089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.179089 (E_RNA)
where:
Base-Base interactions energy: -35.472
where: short stacking energy: -35.472
Base-Backbone interact. energy: -0.229
local terms energy: -78.477979
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -9.608
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: 182
Temperature: 1.250000
Total energy: -110.591846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.591846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.591846 (E_RNA)
where:
Base-Base interactions energy: -45.799
where: short stacking energy: -32.090
Base-Backbone interact. energy: -0.371
local terms energy: -64.421904
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -107.318105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.318105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.318105 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -34.240
Base-Backbone interact. energy: -0.041
local terms energy: -73.037235
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -7.784
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: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -113.288889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.288889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.288889 (E_RNA)
where:
Base-Base interactions energy: -38.722
where: short stacking energy: -38.722
Base-Backbone interact. energy: -0.095
local terms energy: -74.471763
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -11.224
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: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -269.201303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.201303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.201303 (E_RNA)
where:
Base-Base interactions energy: -156.898
where: short stacking energy: -98.229
Base-Backbone interact. energy: 0.390
local terms energy: -112.693654
where:
bonds (distance) C4'-P energy: -23.190
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -31.201
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: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -259.697489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.697489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.697489 (E_RNA)
where:
Base-Base interactions energy: -150.963
where: short stacking energy: -101.241
Base-Backbone interact. energy: 0.417
local terms energy: -109.151679
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -18.932
tors. eta vs tors. theta energy: -29.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -201.285827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.285827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.285827 (E_RNA)
where:
Base-Base interactions energy: -115.344
where: short stacking energy: -70.918
Base-Backbone interact. energy: -0.300
local terms energy: -85.641073
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -12.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -142.530796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.530796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.530796 (E_RNA)
where:
Base-Base interactions energy: -67.875
where: short stacking energy: -53.944
Base-Backbone interact. energy: 0.213
local terms energy: -74.868611
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -6.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -204.279029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.279029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.279029 (E_RNA)
where:
Base-Base interactions energy: -103.893
where: short stacking energy: -76.881
Base-Backbone interact. energy: -0.289
local terms energy: -100.096459
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -25.964
flat angles C4'-P-C4' energy: -21.109
flat angles P-C4'-P energy: -8.754
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: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -158.607861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.607861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.607861 (E_RNA)
where:
Base-Base interactions energy: -77.995
where: short stacking energy: -53.898
Base-Backbone interact. energy: 2.221
local terms energy: -82.834177
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -10.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -116.058531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.058531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.058531 (E_RNA)
where:
Base-Base interactions energy: -44.294
where: short stacking energy: -37.347
Base-Backbone interact. energy: -0.564
local terms energy: -71.200244
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -110.668161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.668161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.668161 (E_RNA)
where:
Base-Base interactions energy: -40.220
where: short stacking energy: -40.220
Base-Backbone interact. energy: -0.264
local terms energy: -70.184314
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -100.951360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.951360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.951360 (E_RNA)
where:
Base-Base interactions energy: -28.009
where: short stacking energy: -25.535
Base-Backbone interact. energy: 3.672
local terms energy: -76.614760
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -103.030788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.030788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.030788 (E_RNA)
where:
Base-Base interactions energy: -31.583
where: short stacking energy: -30.737
Base-Backbone interact. energy: -0.014
local terms energy: -71.433964
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -13.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -269.507271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.507271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.507271 (E_RNA)
where:
Base-Base interactions energy: -155.531
where: short stacking energy: -97.243
Base-Backbone interact. energy: -0.024
local terms energy: -113.952982
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -24.961
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -32.525
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: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -236.073698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.073698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.073698 (E_RNA)
where:
Base-Base interactions energy: -131.752
where: short stacking energy: -83.907
Base-Backbone interact. energy: -0.228
local terms energy: -104.093329
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -22.571
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -21.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -228.484219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.484219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.484219 (E_RNA)
where:
Base-Base interactions energy: -134.115
where: short stacking energy: -85.949
Base-Backbone interact. energy: -0.201
local terms energy: -94.168670
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -20.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -150.789135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.789135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.789135 (E_RNA)
where:
Base-Base interactions energy: -58.495
where: short stacking energy: -55.959
Base-Backbone interact. energy: -0.141
local terms energy: -92.152783
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -23.693
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -190.774723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.774723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.774723 (E_RNA)
where:
Base-Base interactions energy: -102.672
where: short stacking energy: -72.873
Base-Backbone interact. energy: -0.358
local terms energy: -87.744647
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -22.032
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: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -153.546948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.546948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.546948 (E_RNA)
where:
Base-Base interactions energy: -75.143
where: short stacking energy: -51.984
Base-Backbone interact. energy: 0.609
local terms energy: -79.013078
where:
bonds (distance) C4'-P energy: -20.709
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -10.747
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: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -119.655654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.655654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.655654 (E_RNA)
where:
Base-Base interactions energy: -46.077
where: short stacking energy: -42.143
Base-Backbone interact. energy: -0.645
local terms energy: -72.933787
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -106.689996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.689996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.689996 (E_RNA)
where:
Base-Base interactions energy: -42.324
where: short stacking energy: -26.808
Base-Backbone interact. energy: -0.392
local terms energy: -63.974650
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -99.578851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.578851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.578851 (E_RNA)
where:
Base-Base interactions energy: -28.494
where: short stacking energy: -27.421
Base-Backbone interact. energy: -0.123
local terms energy: -70.961981
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -13.847
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: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -101.780588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.780588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.780588 (E_RNA)
where:
Base-Base interactions energy: -45.889
where: short stacking energy: -34.521
Base-Backbone interact. energy: 0.474
local terms energy: -56.365847
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -7.327
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: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -259.278896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.278896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.278896 (E_RNA)
where:
Base-Base interactions energy: -143.098
where: short stacking energy: -94.611
Base-Backbone interact. energy: -0.061
local terms energy: -116.119362
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -28.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -231.673681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.673681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.673681 (E_RNA)
where:
Base-Base interactions energy: -126.895
where: short stacking energy: -82.974
Base-Backbone interact. energy: -0.751
local terms energy: -104.027634
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -24.996
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -22.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -221.854945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.854945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.854945 (E_RNA)
where:
Base-Base interactions energy: -126.513
where: short stacking energy: -87.350
Base-Backbone interact. energy: -0.238
local terms energy: -95.103696
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -19.850
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -21.831
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: 185
Temperature: 1.050000
Total energy: -177.256615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.256615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.256615 (E_RNA)
where:
Base-Base interactions energy: -101.303
where: short stacking energy: -72.857
Base-Backbone interact. energy: -0.020
local terms energy: -75.933809
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -12.433
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: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -132.034229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.034229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.034229 (E_RNA)
where:
Base-Base interactions energy: -47.286
where: short stacking energy: -47.286
Base-Backbone interact. energy: -0.103
local terms energy: -84.644822
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -10.102
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: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -165.898287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.898287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.898287 (E_RNA)
where:
Base-Base interactions energy: -83.870
where: short stacking energy: -54.077
Base-Backbone interact. energy: 0.192
local terms energy: -82.220682
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -21.777
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -121.494416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.494416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.494416 (E_RNA)
where:
Base-Base interactions energy: -32.912
where: short stacking energy: -32.912
Base-Backbone interact. energy: -0.098
local terms energy: -88.484276
where:
bonds (distance) C4'-P energy: -23.067
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -17.383
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: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -109.506649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.506649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.506649 (E_RNA)
where:
Base-Base interactions energy: -38.314
where: short stacking energy: -33.202
Base-Backbone interact. energy: -0.659
local terms energy: -70.533869
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -106.866004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.866004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.866004 (E_RNA)
where:
Base-Base interactions energy: -30.604
where: short stacking energy: -25.554
Base-Backbone interact. energy: -0.575
local terms energy: -75.687647
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -105.018777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.018777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.018777 (E_RNA)
where:
Base-Base interactions energy: -33.203
where: short stacking energy: -33.203
Base-Backbone interact. energy: -0.254
local terms energy: -71.561715
where:
bonds (distance) C4'-P energy: -20.487
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -4.741
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: 186
Temperature: 0.900000
Total energy: -257.739912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.739912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.739912 (E_RNA)
where:
Base-Base interactions energy: -148.396
where: short stacking energy: -93.352
Base-Backbone interact. energy: 0.409
local terms energy: -109.753270
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -25.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -221.152220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.152220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.152220 (E_RNA)
where:
Base-Base interactions energy: -128.062
where: short stacking energy: -89.152
Base-Backbone interact. energy: -0.135
local terms energy: -92.955124
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -229.351877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.351877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.351877 (E_RNA)
where:
Base-Base interactions energy: -128.019
where: short stacking energy: -79.446
Base-Backbone interact. energy: -0.370
local terms energy: -100.963625
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -21.885
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: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -182.397714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.397714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.397714 (E_RNA)
where:
Base-Base interactions energy: -99.851
where: short stacking energy: -68.129
Base-Backbone interact. energy: -0.252
local terms energy: -82.295041
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -14.308
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: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -160.424843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.424843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.424843 (E_RNA)
where:
Base-Base interactions energy: -69.868
where: short stacking energy: -53.980
Base-Backbone interact. energy: -0.233
local terms energy: -90.324044
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -15.450
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: 186
Temperature: 1.150000
Total energy: -127.649642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.649642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.649642 (E_RNA)
where:
Base-Base interactions energy: -50.772
where: short stacking energy: -50.772
Base-Backbone interact. energy: -0.256
local terms energy: -76.621495
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -19.524
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -13.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -122.062002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.062002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.062002 (E_RNA)
where:
Base-Base interactions energy: -47.503
where: short stacking energy: -38.504
Base-Backbone interact. energy: 1.143
local terms energy: -75.701910
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -122.054010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.054010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.054010 (E_RNA)
where:
Base-Base interactions energy: -50.079
where: short stacking energy: -43.254
Base-Backbone interact. energy: -0.286
local terms energy: -71.688774
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -10.885
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: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -103.793043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.793043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.793043 (E_RNA)
where:
Base-Base interactions energy: -36.225
where: short stacking energy: -28.790
Base-Backbone interact. energy: -0.165
local terms energy: -67.403070
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -16.453
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -102.023401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.023401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.023401 (E_RNA)
where:
Base-Base interactions energy: -43.157
where: short stacking energy: -29.493
Base-Backbone interact. energy: -0.199
local terms energy: -58.666684
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -3.466
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -267.938938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.938938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.938938 (E_RNA)
where:
Base-Base interactions energy: -155.427
where: short stacking energy: -94.740
Base-Backbone interact. energy: -0.687
local terms energy: -111.824404
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -24.216
flat angles P-C4'-P energy: -14.493
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: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -237.603000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.603000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.603000 (E_RNA)
where:
Base-Base interactions energy: -132.811
where: short stacking energy: -90.638
Base-Backbone interact. energy: -0.021
local terms energy: -104.770585
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -23.299
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -26.003
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: 3, replica: 4
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -216.436817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.436817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.436817 (E_RNA)
where:
Base-Base interactions energy: -121.204
where: short stacking energy: -75.738
Base-Backbone interact. energy: -0.132
local terms energy: -95.100791
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -21.120
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -150.463677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.463677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.463677 (E_RNA)
where:
Base-Base interactions energy: -64.075
where: short stacking energy: -64.075
Base-Backbone interact. energy: -0.097
local terms energy: -86.291748
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -23.616
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -132.129618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.129618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.129618 (E_RNA)
where:
Base-Base interactions energy: -54.719
where: short stacking energy: -53.359
Base-Backbone interact. energy: -0.046
local terms energy: -77.365546
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -8.837
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: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -135.073505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.073505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.073505 (E_RNA)
where:
Base-Base interactions energy: -55.338
where: short stacking energy: -52.864
Base-Backbone interact. energy: 0.147
local terms energy: -79.883170
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -126.742681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.742681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.742681 (E_RNA)
where:
Base-Base interactions energy: -50.413
where: short stacking energy: -49.140
Base-Backbone interact. energy: 0.140
local terms energy: -76.469654
where:
bonds (distance) C4'-P energy: -23.511
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -128.483110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.483110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.483110 (E_RNA)
where:
Base-Base interactions energy: -56.159
where: short stacking energy: -40.050
Base-Backbone interact. energy: 2.284
local terms energy: -74.608865
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -7.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -107.861457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.861457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.861457 (E_RNA)
where:
Base-Base interactions energy: -40.914
where: short stacking energy: -40.725
Base-Backbone interact. energy: -0.171
local terms energy: -66.776836
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -108.235239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.235239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.235239 (E_RNA)
where:
Base-Base interactions energy: -38.962
where: short stacking energy: -20.162
Base-Backbone interact. energy: -1.051
local terms energy: -68.221904
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -4.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -264.542591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.542591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.542591 (E_RNA)
where:
Base-Base interactions energy: -156.674
where: short stacking energy: -90.324
Base-Backbone interact. energy: -0.001
local terms energy: -107.867710
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -24.351
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -30.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -234.670092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.670092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.670092 (E_RNA)
where:
Base-Base interactions energy: -132.829
where: short stacking energy: -88.067
Base-Backbone interact. energy: -0.049
local terms energy: -101.791525
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -23.005
flat angles P-C4'-P energy: -7.907
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: 3, replica: 4
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -238.006551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.006551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.006551 (E_RNA)
where:
Base-Base interactions energy: -138.099
where: short stacking energy: -87.834
Base-Backbone interact. energy: -0.017
local terms energy: -99.889966
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -26.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -157.057695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.057695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.057695 (E_RNA)
where:
Base-Base interactions energy: -64.621
where: short stacking energy: -64.621
Base-Backbone interact. energy: -0.043
local terms energy: -92.393148
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -13.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -141.873370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.873370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.873370 (E_RNA)
where:
Base-Base interactions energy: -63.288
where: short stacking energy: -63.288
Base-Backbone interact. energy: -0.019
local terms energy: -78.566417
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -116.553645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.553645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.553645 (E_RNA)
where:
Base-Base interactions energy: -55.438
where: short stacking energy: -51.294
Base-Backbone interact. energy: -0.646
local terms energy: -60.469636
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -10.260
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: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -135.860695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.860695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.860695 (E_RNA)
where:
Base-Base interactions energy: -56.304
where: short stacking energy: -52.844
Base-Backbone interact. energy: 0.270
local terms energy: -79.826683
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -16.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -116.628995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.628995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.628995 (E_RNA)
where:
Base-Base interactions energy: -42.305
where: short stacking energy: -42.305
Base-Backbone interact. energy: -0.021
local terms energy: -74.302641
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -106.440641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.440641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.440641 (E_RNA)
where:
Base-Base interactions energy: -38.758
where: short stacking energy: -38.752
Base-Backbone interact. energy: 1.654
local terms energy: -69.336325
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -102.020727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.020727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.020727 (E_RNA)
where:
Base-Base interactions energy: -42.032
where: short stacking energy: -41.178
Base-Backbone interact. energy: -0.363
local terms energy: -59.626045
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -4.417
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: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -270.854398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.854398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.854398 (E_RNA)
where:
Base-Base interactions energy: -166.840
where: short stacking energy: -96.087
Base-Backbone interact. energy: -0.129
local terms energy: -103.885902
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -21.159
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -26.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -239.248625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.248625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.248625 (E_RNA)
where:
Base-Base interactions energy: -128.578
where: short stacking energy: -90.003
Base-Backbone interact. energy: -0.391
local terms energy: -110.280059
where:
bonds (distance) C4'-P energy: -24.012
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -13.808
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: 3, replica: 4
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -233.867668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.867668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.867668 (E_RNA)
where:
Base-Base interactions energy: -134.274
where: short stacking energy: -87.240
Base-Backbone interact. energy: -0.065
local terms energy: -99.528225
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: -26.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -154.580729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.580729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.580729 (E_RNA)
where:
Base-Base interactions energy: -70.363
where: short stacking energy: -64.481
Base-Backbone interact. energy: -0.078
local terms energy: -84.139360
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -144.490095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.490095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.490095 (E_RNA)
where:
Base-Base interactions energy: -57.509
where: short stacking energy: -57.509
Base-Backbone interact. energy: -0.014
local terms energy: -86.966706
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -15.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -141.259374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.259374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.259374 (E_RNA)
where:
Base-Base interactions energy: -72.076
where: short stacking energy: -44.803
Base-Backbone interact. energy: -0.371
local terms energy: -68.813182
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -114.376422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.376422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.376422 (E_RNA)
where:
Base-Base interactions energy: -45.267
where: short stacking energy: -38.829
Base-Backbone interact. energy: -0.467
local terms energy: -68.642191
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -107.743773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.743773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.743773 (E_RNA)
where:
Base-Base interactions energy: -34.571
where: short stacking energy: -31.828
Base-Backbone interact. energy: -0.074
local terms energy: -73.098956
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -8.122
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: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -112.940536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.940536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.940536 (E_RNA)
where:
Base-Base interactions energy: -38.180
where: short stacking energy: -34.433
Base-Backbone interact. energy: -0.198
local terms energy: -74.561968
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -7.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -101.972619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.972619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.972619 (E_RNA)
where:
Base-Base interactions energy: -35.015
where: short stacking energy: -34.274
Base-Backbone interact. energy: 2.814
local terms energy: -69.771830
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -267.567737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.567737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.567737 (E_RNA)
where:
Base-Base interactions energy: -168.944
where: short stacking energy: -99.104
Base-Backbone interact. energy: -0.106
local terms energy: -98.517082
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -26.501
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: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -240.636543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.636543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.636543 (E_RNA)
where:
Base-Base interactions energy: -132.623
where: short stacking energy: -77.968
Base-Backbone interact. energy: 0.151
local terms energy: -108.164986
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -25.761
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -25.153
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: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -215.853692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.853692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.853692 (E_RNA)
where:
Base-Base interactions energy: -119.906
where: short stacking energy: -78.485
Base-Backbone interact. energy: -0.141
local terms energy: -95.807197
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -23.790
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -134.164893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.164893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.164893 (E_RNA)
where:
Base-Base interactions energy: -47.876
where: short stacking energy: -43.722
Base-Backbone interact. energy: -0.117
local terms energy: -86.172022
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -150.521138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.521138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.521138 (E_RNA)
where:
Base-Base interactions energy: -65.245
where: short stacking energy: -56.950
Base-Backbone interact. energy: -0.301
local terms energy: -84.974886
where:
bonds (distance) C4'-P energy: -22.581
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -9.053
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: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -123.865044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.865044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.865044 (E_RNA)
where:
Base-Base interactions energy: -54.780
where: short stacking energy: -53.963
Base-Backbone interact. energy: 0.130
local terms energy: -69.215113
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -8.170
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: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -120.301952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.301952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.301952 (E_RNA)
where:
Base-Base interactions energy: -38.776
where: short stacking energy: -38.348
Base-Backbone interact. energy: -0.319
local terms energy: -81.206586
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -115.901277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.901277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.901277 (E_RNA)
where:
Base-Base interactions energy: -45.547
where: short stacking energy: -34.986
Base-Backbone interact. energy: -0.688
local terms energy: -69.666496
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -7.402
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: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -94.596630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.596630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.596630 (E_RNA)
where:
Base-Base interactions energy: -32.452
where: short stacking energy: -32.452
Base-Backbone interact. energy: -0.363
local terms energy: -61.781906
where:
bonds (distance) C4'-P energy: -22.252
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: 0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -92.952813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.952813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.952813 (E_RNA)
where:
Base-Base interactions energy: -36.570
where: short stacking energy: -33.287
Base-Backbone interact. energy: -0.592
local terms energy: -55.790797
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -20.117
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -3.444
tors. eta vs tors. theta energy: -0.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -273.236569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.236569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.236569 (E_RNA)
where:
Base-Base interactions energy: -169.253
where: short stacking energy: -102.200
Base-Backbone interact. energy: 0.066
local terms energy: -104.049644
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -16.968
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: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -260.630444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.630444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.630444 (E_RNA)
where:
Base-Base interactions energy: -148.002
where: short stacking energy: -86.598
Base-Backbone interact. energy: -0.040
local terms energy: -112.587980
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -26.233
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: -26.542
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: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -212.278981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.278981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.278981 (E_RNA)
where:
Base-Base interactions energy: -121.080
where: short stacking energy: -83.304
Base-Backbone interact. energy: -0.003
local terms energy: -91.195963
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -23.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -162.995109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.995109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.995109 (E_RNA)
where:
Base-Base interactions energy: -64.417
where: short stacking energy: -59.728
Base-Backbone interact. energy: -0.111
local terms energy: -98.467138
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -116.905142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.905142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.905142 (E_RNA)
where:
Base-Base interactions energy: -45.817
where: short stacking energy: -34.289
Base-Backbone interact. energy: 0.619
local terms energy: -71.706798
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -13.290
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: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -144.332915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.332915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.332915 (E_RNA)
where:
Base-Base interactions energy: -67.723
where: short stacking energy: -67.723
Base-Backbone interact. energy: -0.048
local terms energy: -76.561935
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -13.407
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: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -126.032322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.032322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.032322 (E_RNA)
where:
Base-Base interactions energy: -48.189
where: short stacking energy: -42.568
Base-Backbone interact. energy: -0.403
local terms energy: -77.440232
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -5.940
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: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -102.313727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.313727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.313727 (E_RNA)
where:
Base-Base interactions energy: -30.979
where: short stacking energy: -26.405
Base-Backbone interact. energy: -0.068
local terms energy: -71.267327
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -97.333936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.333936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.333936 (E_RNA)
where:
Base-Base interactions energy: -21.812
where: short stacking energy: -16.721
Base-Backbone interact. energy: -0.362
local terms energy: -75.159848
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -19.687
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: 2.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -99.171305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.171305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.171305 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -35.811
Base-Backbone interact. energy: -1.192
local terms energy: -61.750399
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: 1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -271.678794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.678794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.678794 (E_RNA)
where:
Base-Base interactions energy: -159.745
where: short stacking energy: -103.027
Base-Backbone interact. energy: -0.081
local terms energy: -111.852904
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -33.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -236.530150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.530150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.530150 (E_RNA)
where:
Base-Base interactions energy: -138.949
where: short stacking energy: -84.776
Base-Backbone interact. energy: -0.049
local terms energy: -97.532720
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -20.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -233.717354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.717354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.717354 (E_RNA)
where:
Base-Base interactions energy: -126.863
where: short stacking energy: -86.383
Base-Backbone interact. energy: -0.219
local terms energy: -106.635836
where:
bonds (distance) C4'-P energy: -22.788
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -29.414
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: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -155.847470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.847470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.847470 (E_RNA)
where:
Base-Base interactions energy: -63.966
where: short stacking energy: -54.987
Base-Backbone interact. energy: -0.311
local terms energy: -91.569827
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -11.257
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: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -136.580017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.580017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.580017 (E_RNA)
where:
Base-Base interactions energy: -57.604
where: short stacking energy: -38.083
Base-Backbone interact. energy: -0.648
local terms energy: -78.328100
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -19.423
flat angles C4'-P-C4' energy: -19.795
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -6.695
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: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -137.961428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.961428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.961428 (E_RNA)
where:
Base-Base interactions energy: -72.471
where: short stacking energy: -61.616
Base-Backbone interact. energy: -0.537
local terms energy: -64.953689
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -10.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -126.608040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.608040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.608040 (E_RNA)
where:
Base-Base interactions energy: -55.879
where: short stacking energy: -55.331
Base-Backbone interact. energy: -0.322
local terms energy: -70.406817
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -11.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -118.985430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.985430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.985430 (E_RNA)
where:
Base-Base interactions energy: -62.370
where: short stacking energy: -44.206
Base-Backbone interact. energy: -0.218
local terms energy: -56.396903
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -101.765658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.765658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.765658 (E_RNA)
where:
Base-Base interactions energy: -32.702
where: short stacking energy: -32.771
Base-Backbone interact. energy: -0.574
local terms energy: -68.489985
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: 0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -103.136004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.136004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.136004 (E_RNA)
where:
Base-Base interactions energy: -40.729
where: short stacking energy: -32.930
Base-Backbone interact. energy: -0.096
local terms energy: -62.310884
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -12.341
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: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -263.127396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.127396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.127396 (E_RNA)
where:
Base-Base interactions energy: -156.468
where: short stacking energy: -95.623
Base-Backbone interact. energy: -0.719
local terms energy: -105.940544
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -21.587
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -28.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -250.903496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.903496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.903496 (E_RNA)
where:
Base-Base interactions energy: -149.901
where: short stacking energy: -95.427
Base-Backbone interact. energy: -0.009
local terms energy: -100.993903
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -28.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -217.199825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.199825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.199825 (E_RNA)
where:
Base-Base interactions energy: -122.965
where: short stacking energy: -78.407
Base-Backbone interact. energy: 0.280
local terms energy: -94.514709
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -19.882
tors. eta vs tors. theta energy: -19.130
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: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -173.525536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.525536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.525536 (E_RNA)
where:
Base-Base interactions energy: -84.611
where: short stacking energy: -60.520
Base-Backbone interact. energy: -0.169
local terms energy: -88.745246
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -13.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -123.165559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.165559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.165559 (E_RNA)
where:
Base-Base interactions energy: -62.084
where: short stacking energy: -44.776
Base-Backbone interact. energy: -0.527
local terms energy: -60.554078
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -139.984403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.984403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.984403 (E_RNA)
where:
Base-Base interactions energy: -61.137
where: short stacking energy: -45.134
Base-Backbone interact. energy: -0.401
local terms energy: -78.446473
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -106.130618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.130618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.130618 (E_RNA)
where:
Base-Base interactions energy: -38.837
where: short stacking energy: -31.274
Base-Backbone interact. energy: -0.292
local terms energy: -67.001955
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -6.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -111.748739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.748739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.748739 (E_RNA)
where:
Base-Base interactions energy: -47.286
where: short stacking energy: -38.084
Base-Backbone interact. energy: -0.391
local terms energy: -64.072171
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -99.599695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.599695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.599695 (E_RNA)
where:
Base-Base interactions energy: -41.259
where: short stacking energy: -36.968
Base-Backbone interact. energy: -0.082
local terms energy: -58.258713
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -87.579989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.579989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.579989 (E_RNA)
where:
Base-Base interactions energy: -31.211
where: short stacking energy: -31.095
Base-Backbone interact. energy: 0.415
local terms energy: -56.783386
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: 2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -270.733950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.733950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.733950 (E_RNA)
where:
Base-Base interactions energy: -157.136
where: short stacking energy: -103.587
Base-Backbone interact. energy: 0.801
local terms energy: -114.399591
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -29.216
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: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -238.497198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.497198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.497198 (E_RNA)
where:
Base-Base interactions energy: -129.829
where: short stacking energy: -86.752
Base-Backbone interact. energy: -0.278
local terms energy: -108.390837
where:
bonds (distance) C4'-P energy: -22.897
bonds (distance) P-C4' energy: -21.688
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -24.423
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: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -182.855650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.855650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.855650 (E_RNA)
where:
Base-Base interactions energy: -99.076
where: short stacking energy: -72.357
Base-Backbone interact. energy: -0.064
local terms energy: -83.715246
where:
bonds (distance) C4'-P energy: -21.717
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -237.120659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.120659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.120659 (E_RNA)
where:
Base-Base interactions energy: -136.634
where: short stacking energy: -88.723
Base-Backbone interact. energy: -0.104
local terms energy: -100.382139
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -20.584
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -142.847150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.847150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.847150 (E_RNA)
where:
Base-Base interactions energy: -58.900
where: short stacking energy: -58.900
Base-Backbone interact. energy: -0.324
local terms energy: -83.622785
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -8.353
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: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -129.795566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.795566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.795566 (E_RNA)
where:
Base-Base interactions energy: -51.554
where: short stacking energy: -50.998
Base-Backbone interact. energy: -0.009
local terms energy: -78.232428
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -12.929
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: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -130.610324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.610324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.610324 (E_RNA)
where:
Base-Base interactions energy: -49.747
where: short stacking energy: -49.747
Base-Backbone interact. energy: -0.275
local terms energy: -80.588157
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -120.225342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.225342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.225342 (E_RNA)
where:
Base-Base interactions energy: -42.081
where: short stacking energy: -42.081
Base-Backbone interact. energy: -0.124
local terms energy: -78.019845
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -11.159
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: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -102.525459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.525459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.525459 (E_RNA)
where:
Base-Base interactions energy: -42.677
where: short stacking energy: -42.677
Base-Backbone interact. energy: -0.022
local terms energy: -59.826329
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -121.971968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.971968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.971968 (E_RNA)
where:
Base-Base interactions energy: -44.772
where: short stacking energy: -43.855
Base-Backbone interact. energy: 0.107
local terms energy: -77.306604
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -12.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -270.276952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.276952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.276952 (E_RNA)
where:
Base-Base interactions energy: -162.146
where: short stacking energy: -101.751
Base-Backbone interact. energy: -0.004
local terms energy: -108.126829
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -28.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -225.390453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.390453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.390453 (E_RNA)
where:
Base-Base interactions energy: -130.612
where: short stacking energy: -70.163
Base-Backbone interact. energy: 0.235
local terms energy: -95.014228
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -198.489709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.489709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.489709 (E_RNA)
where:
Base-Base interactions energy: -107.324
where: short stacking energy: -80.671
Base-Backbone interact. energy: 0.076
local terms energy: -91.241885
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -22.976
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -15.402
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: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -238.979717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.979717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.979717 (E_RNA)
where:
Base-Base interactions energy: -137.860
where: short stacking energy: -90.733
Base-Backbone interact. energy: -0.049
local terms energy: -101.070379
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -13.649
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: 5, replica: 9
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -141.723100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.723100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.723100 (E_RNA)
where:
Base-Base interactions energy: -56.169
where: short stacking energy: -49.864
Base-Backbone interact. energy: -0.231
local terms energy: -85.323239
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -23.921
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -125.865215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.865215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.865215 (E_RNA)
where:
Base-Base interactions energy: -41.501
where: short stacking energy: -32.572
Base-Backbone interact. energy: -1.512
local terms energy: -82.851911
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -116.316011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.316011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.316011 (E_RNA)
where:
Base-Base interactions energy: -40.533
where: short stacking energy: -40.533
Base-Backbone interact. energy: -0.096
local terms energy: -75.686542
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -12.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -110.590531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.590531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.590531 (E_RNA)
where:
Base-Base interactions energy: -43.464
where: short stacking energy: -43.964
Base-Backbone interact. energy: -0.095
local terms energy: -67.031817
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -6.065
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: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -100.148520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.148520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.148520 (E_RNA)
where:
Base-Base interactions energy: -31.979
where: short stacking energy: -24.798
Base-Backbone interact. energy: 1.138
local terms energy: -69.307844
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -109.214876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.214876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.214876 (E_RNA)
where:
Base-Base interactions energy: -39.859
where: short stacking energy: -39.684
Base-Backbone interact. energy: 2.770
local terms energy: -72.126056
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -264.941991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.941991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.941991 (E_RNA)
where:
Base-Base interactions energy: -150.971
where: short stacking energy: -87.598
Base-Backbone interact. energy: -0.083
local terms energy: -113.887772
where:
bonds (distance) C4'-P energy: -21.202
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: -29.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -246.252276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.252276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.252276 (E_RNA)
where:
Base-Base interactions energy: -137.852
where: short stacking energy: -93.573
Base-Backbone interact. energy: -0.003
local terms energy: -108.398149
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -17.111
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: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -214.890844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.890844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.890844 (E_RNA)
where:
Base-Base interactions energy: -117.960
where: short stacking energy: -70.828
Base-Backbone interact. energy: -0.595
local terms energy: -96.335763
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -20.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -182.270060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.270060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.270060 (E_RNA)
where:
Base-Base interactions energy: -96.341
where: short stacking energy: -64.496
Base-Backbone interact. energy: -0.026
local terms energy: -85.903289
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -139.932087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.932087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.932087 (E_RNA)
where:
Base-Base interactions energy: -59.295
where: short stacking energy: -43.453
Base-Backbone interact. energy: 0.067
local terms energy: -80.704436
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -10.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -129.869084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.869084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.869084 (E_RNA)
where:
Base-Base interactions energy: -54.086
where: short stacking energy: -49.723
Base-Backbone interact. energy: -0.016
local terms energy: -75.767522
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -12.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -120.504620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.504620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.504620 (E_RNA)
where:
Base-Base interactions energy: -37.260
where: short stacking energy: -37.260
Base-Backbone interact. energy: 0.123
local terms energy: -83.367837
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -104.012478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.012478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.012478 (E_RNA)
where:
Base-Base interactions energy: -43.261
where: short stacking energy: -43.261
Base-Backbone interact. energy: 0.487
local terms energy: -61.237837
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: 1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -100.190016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.190016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.190016 (E_RNA)
where:
Base-Base interactions energy: -33.630
where: short stacking energy: -33.830
Base-Backbone interact. energy: -0.166
local terms energy: -66.394538
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -9.836
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: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -103.517396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.517396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.517396 (E_RNA)
where:
Base-Base interactions energy: -42.479
where: short stacking energy: -24.567
Base-Backbone interact. energy: -0.317
local terms energy: -60.721210
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: 7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -265.036725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.036725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.036725 (E_RNA)
where:
Base-Base interactions energy: -150.874
where: short stacking energy: -98.022
Base-Backbone interact. energy: 1.022
local terms energy: -115.184652
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -31.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -249.806754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.806754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.806754 (E_RNA)
where:
Base-Base interactions energy: -141.916
where: short stacking energy: -98.600
Base-Backbone interact. energy: -0.090
local terms energy: -107.800622
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -25.003
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -28.529
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: 3, replica: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -221.710463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.710463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.710463 (E_RNA)
where:
Base-Base interactions energy: -119.666
where: short stacking energy: -75.319
Base-Backbone interact. energy: -0.258
local terms energy: -101.786121
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -14.199
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: 4, replica: 1
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -163.525461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.525461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.525461 (E_RNA)
where:
Base-Base interactions energy: -74.468
where: short stacking energy: -44.138
Base-Backbone interact. energy: -0.171
local terms energy: -88.885805
where:
bonds (distance) C4'-P energy: -25.247
bonds (distance) P-C4' energy: -24.474
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -13.568
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: 5, replica: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -171.773510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.773510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.773510 (E_RNA)
where:
Base-Base interactions energy: -83.050
where: short stacking energy: -58.302
Base-Backbone interact. energy: -0.559
local terms energy: -88.165035
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -114.836131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.836131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.836131 (E_RNA)
where:
Base-Base interactions energy: -39.416
where: short stacking energy: -39.416
Base-Backbone interact. energy: -0.308
local terms energy: -75.111386
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -12.380
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: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -130.036449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.036449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.036449 (E_RNA)
where:
Base-Base interactions energy: -61.346
where: short stacking energy: -53.835
Base-Backbone interact. energy: -0.115
local terms energy: -68.575500
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -9.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -102.483288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.483288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.483288 (E_RNA)
where:
Base-Base interactions energy: -36.453
where: short stacking energy: -36.453
Base-Backbone interact. energy: 0.311
local terms energy: -66.341690
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: 1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -106.309765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.309765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.309765 (E_RNA)
where:
Base-Base interactions energy: -41.585
where: short stacking energy: -40.449
Base-Backbone interact. energy: -0.182
local terms energy: -64.543025
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -3.914
tors. eta vs tors. theta energy: -3.278
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: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -95.634088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.634088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.634088 (E_RNA)
where:
Base-Base interactions energy: -20.480
where: short stacking energy: -19.025
Base-Backbone interact. energy: -0.119
local terms energy: -75.035042
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -8.234
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: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -258.518514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.518514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.518514 (E_RNA)
where:
Base-Base interactions energy: -155.806
where: short stacking energy: -99.017
Base-Backbone interact. energy: 1.682
local terms energy: -104.394677
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -26.339
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: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -248.315025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.315025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.315025 (E_RNA)
where:
Base-Base interactions energy: -144.200
where: short stacking energy: -98.609
Base-Backbone interact. energy: -0.083
local terms energy: -104.031977
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -25.951
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: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -210.396722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.396722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.396722 (E_RNA)
where:
Base-Base interactions energy: -114.676
where: short stacking energy: -72.670
Base-Backbone interact. energy: -0.115
local terms energy: -95.605144
where:
bonds (distance) C4'-P energy: -24.325
bonds (distance) P-C4' energy: -22.195
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -150.597475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.597475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.597475 (E_RNA)
where:
Base-Base interactions energy: -63.056
where: short stacking energy: -63.056
Base-Backbone interact. energy: -0.354
local terms energy: -87.187693
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -13.912
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: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -141.682271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.682271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.682271 (E_RNA)
where:
Base-Base interactions energy: -57.473
where: short stacking energy: -50.498
Base-Backbone interact. energy: -0.385
local terms energy: -83.824313
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -10.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -132.899867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.899867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.899867 (E_RNA)
where:
Base-Base interactions energy: -56.155
where: short stacking energy: -34.830
Base-Backbone interact. energy: -0.247
local terms energy: -76.497485
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -118.077373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.077373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.077373 (E_RNA)
where:
Base-Base interactions energy: -40.686
where: short stacking energy: -39.767
Base-Backbone interact. energy: -0.111
local terms energy: -77.280696
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -7.301
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: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -110.641195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.641195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.641195 (E_RNA)
where:
Base-Base interactions energy: -34.464
where: short stacking energy: -34.464
Base-Backbone interact. energy: -0.411
local terms energy: -75.766187
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -14.788
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: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -104.314805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.314805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.314805 (E_RNA)
where:
Base-Base interactions energy: -39.051
where: short stacking energy: -39.051
Base-Backbone interact. energy: -0.226
local terms energy: -65.037558
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -4.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -104.723919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.723919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.723919 (E_RNA)
where:
Base-Base interactions energy: -26.668
where: short stacking energy: -24.447
Base-Backbone interact. energy: -0.058
local terms energy: -77.998200
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -260.154244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.154244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.154244 (E_RNA)
where:
Base-Base interactions energy: -161.039
where: short stacking energy: -93.291
Base-Backbone interact. energy: -0.202
local terms energy: -98.913277
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -23.932
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -26.783
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: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -235.960821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.960821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.960821 (E_RNA)
where:
Base-Base interactions energy: -134.223
where: short stacking energy: -87.663
Base-Backbone interact. energy: -0.099
local terms energy: -101.638635
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -203.908226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.908226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.908226 (E_RNA)
where:
Base-Base interactions energy: -119.243
where: short stacking energy: -74.971
Base-Backbone interact. energy: -0.061
local terms energy: -84.604333
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -158.514900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.514900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.514900 (E_RNA)
where:
Base-Base interactions energy: -73.758
where: short stacking energy: -51.590
Base-Backbone interact. energy: -0.638
local terms energy: -84.119010
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -11.132
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: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -132.738351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.738351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.738351 (E_RNA)
where:
Base-Base interactions energy: -53.055
where: short stacking energy: -37.429
Base-Backbone interact. energy: -0.016
local terms energy: -79.666701
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -24.734
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -142.542823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.542823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.542823 (E_RNA)
where:
Base-Base interactions energy: -61.601
where: short stacking energy: -61.601
Base-Backbone interact. energy: -0.368
local terms energy: -80.573542
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -11.054
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: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -129.759499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.759499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.759499 (E_RNA)
where:
Base-Base interactions energy: -60.098
where: short stacking energy: -45.239
Base-Backbone interact. energy: -0.045
local terms energy: -69.616723
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -4.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -117.294574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.294574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.294574 (E_RNA)
where:
Base-Base interactions energy: -47.850
where: short stacking energy: -37.437
Base-Backbone interact. energy: 0.114
local terms energy: -69.558632
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -110.727470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.727470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.727470 (E_RNA)
where:
Base-Base interactions energy: -36.064
where: short stacking energy: -35.276
Base-Backbone interact. energy: -0.749
local terms energy: -73.914503
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -25.157
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: 0.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -99.684032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.684032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.684032 (E_RNA)
where:
Base-Base interactions energy: -40.891
where: short stacking energy: -40.891
Base-Backbone interact. energy: -0.020
local terms energy: -58.773609
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -262.875797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.875797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.875797 (E_RNA)
where:
Base-Base interactions energy: -158.575
where: short stacking energy: -95.667
Base-Backbone interact. energy: -0.001
local terms energy: -104.300343
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -28.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -217.165482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.165482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.165482 (E_RNA)
where:
Base-Base interactions energy: -117.421
where: short stacking energy: -77.282
Base-Backbone interact. energy: -0.128
local terms energy: -99.617142
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -24.370
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: 4
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -216.032006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.032006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.032006 (E_RNA)
where:
Base-Base interactions energy: -116.939
where: short stacking energy: -79.898
Base-Backbone interact. energy: -0.103
local terms energy: -98.990105
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -163.162235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.162235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.162235 (E_RNA)
where:
Base-Base interactions energy: -71.576
where: short stacking energy: -61.075
Base-Backbone interact. energy: -0.221
local terms energy: -91.365534
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -12.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -143.872851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.872851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.872851 (E_RNA)
where:
Base-Base interactions energy: -61.781
where: short stacking energy: -61.245
Base-Backbone interact. energy: -0.092
local terms energy: -82.000086
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -131.279318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.279318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.279318 (E_RNA)
where:
Base-Base interactions energy: -55.494
where: short stacking energy: -55.437
Base-Backbone interact. energy: 0.630
local terms energy: -76.415778
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -124.010799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.010799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.010799 (E_RNA)
where:
Base-Base interactions energy: -50.125
where: short stacking energy: -42.503
Base-Backbone interact. energy: 0.411
local terms energy: -74.296448
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -20.724
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -125.759094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.759094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.759094 (E_RNA)
where:
Base-Base interactions energy: -61.538
where: short stacking energy: -32.924
Base-Backbone interact. energy: -0.253
local terms energy: -63.968287
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -99.390846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.390846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.390846 (E_RNA)
where:
Base-Base interactions energy: -24.504
where: short stacking energy: -23.645
Base-Backbone interact. energy: 0.775
local terms energy: -75.661336
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -24.727
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -13.047
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: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -99.996839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.996839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.996839 (E_RNA)
where:
Base-Base interactions energy: -34.472
where: short stacking energy: -34.472
Base-Backbone interact. energy: 0.351
local terms energy: -65.875517
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -22.702
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -8.317
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: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -249.563842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.563842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.563842 (E_RNA)
where:
Base-Base interactions energy: -146.737
where: short stacking energy: -87.419
Base-Backbone interact. energy: -0.248
local terms energy: -102.579011
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -26.193
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: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -219.485834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.485834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.485834 (E_RNA)
where:
Base-Base interactions energy: -128.973
where: short stacking energy: -75.924
Base-Backbone interact. energy: -0.142
local terms energy: -90.371098
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -21.159
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -218.950194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.950194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.950194 (E_RNA)
where:
Base-Base interactions energy: -119.792
where: short stacking energy: -77.734
Base-Backbone interact. energy: -0.154
local terms energy: -99.004366
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -20.941
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -159.253177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.253177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.253177 (E_RNA)
where:
Base-Base interactions energy: -73.028
where: short stacking energy: -49.375
Base-Backbone interact. energy: -0.750
local terms energy: -85.474596
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -13.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -133.946139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.946139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.946139 (E_RNA)
where:
Base-Base interactions energy: -55.293
where: short stacking energy: -53.883
Base-Backbone interact. energy: 1.143
local terms energy: -79.796249
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -11.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -124.145525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.145525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.145525 (E_RNA)
where:
Base-Base interactions energy: -46.364
where: short stacking energy: -46.564
Base-Backbone interact. energy: -0.568
local terms energy: -77.213060
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -7.433
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: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -121.209541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.209541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.209541 (E_RNA)
where:
Base-Base interactions energy: -46.360
where: short stacking energy: -46.360
Base-Backbone interact. energy: 0.429
local terms energy: -75.278311
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -12.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -115.978119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.978119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.978119 (E_RNA)
where:
Base-Base interactions energy: -39.656
where: short stacking energy: -39.914
Base-Backbone interact. energy: -0.236
local terms energy: -76.086736
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -11.946
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: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -103.546980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.546980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.546980 (E_RNA)
where:
Base-Base interactions energy: -25.864
where: short stacking energy: -25.817
Base-Backbone interact. energy: 1.743
local terms energy: -79.426240
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -116.627130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.627130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.627130 (E_RNA)
where:
Base-Base interactions energy: -52.948
where: short stacking energy: -52.051
Base-Backbone interact. energy: 0.806
local terms energy: -64.485632
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -12.527
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: 202
Temperature: 0.900000
Total energy: -241.906004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.906004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.906004 (E_RNA)
where:
Base-Base interactions energy: -142.408
where: short stacking energy: -82.449
Base-Backbone interact. energy: -0.035
local terms energy: -99.462592
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -228.437230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.437230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.437230 (E_RNA)
where:
Base-Base interactions energy: -122.475
where: short stacking energy: -81.209
Base-Backbone interact. energy: -0.053
local terms energy: -105.909226
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -23.759
flat angles C4'-P-C4' energy: -23.136
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -25.064
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: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -243.045145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.045145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.045145 (E_RNA)
where:
Base-Base interactions energy: -138.388
where: short stacking energy: -88.849
Base-Backbone interact. energy: -0.065
local terms energy: -104.592325
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -20.607
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -24.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -148.904073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.904073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.904073 (E_RNA)
where:
Base-Base interactions energy: -63.598
where: short stacking energy: -63.159
Base-Backbone interact. energy: -0.460
local terms energy: -84.846016
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -11.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -148.985076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.985076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.985076 (E_RNA)
where:
Base-Base interactions energy: -73.071
where: short stacking energy: -52.937
Base-Backbone interact. energy: -0.514
local terms energy: -75.400949
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -10.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -130.929098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.929098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.929098 (E_RNA)
where:
Base-Base interactions energy: -46.074
where: short stacking energy: -38.779
Base-Backbone interact. energy: -1.130
local terms energy: -83.725177
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -11.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -110.289155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.289155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.289155 (E_RNA)
where:
Base-Base interactions energy: -37.049
where: short stacking energy: -30.863
Base-Backbone interact. energy: -0.107
local terms energy: -73.133276
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -17.821
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: 3
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -146.641803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.641803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.641803 (E_RNA)
where:
Base-Base interactions energy: -78.219
where: short stacking energy: -52.852
Base-Backbone interact. energy: -0.126
local terms energy: -68.297364
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -111.949617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.949617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.949617 (E_RNA)
where:
Base-Base interactions energy: -31.424
where: short stacking energy: -31.424
Base-Backbone interact. energy: -0.311
local terms energy: -80.214355
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -8.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -109.377165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.377165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.377165 (E_RNA)
where:
Base-Base interactions energy: -51.389
where: short stacking energy: -38.299
Base-Backbone interact. energy: -0.364
local terms energy: -57.624144
where:
bonds (distance) C4'-P energy: -8.532
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -254.280754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.280754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.280754 (E_RNA)
where:
Base-Base interactions energy: -150.301
where: short stacking energy: -90.421
Base-Backbone interact. energy: -0.082
local terms energy: -103.897202
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -24.233
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -23.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -241.647362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.647362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.647362 (E_RNA)
where:
Base-Base interactions energy: -131.782
where: short stacking energy: -85.828
Base-Backbone interact. energy: -0.013
local terms energy: -109.852336
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -23.325
flat angles P-C4'-P energy: -18.224
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: 3, replica: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -209.867141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.867141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.867141 (E_RNA)
where:
Base-Base interactions energy: -110.293
where: short stacking energy: -67.404
Base-Backbone interact. energy: -0.103
local terms energy: -99.471246
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -19.911
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: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -178.935577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.935577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.935577 (E_RNA)
where:
Base-Base interactions energy: -92.436
where: short stacking energy: -75.803
Base-Backbone interact. energy: -0.025
local terms energy: -86.474135
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -153.774469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.774469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.774469 (E_RNA)
where:
Base-Base interactions energy: -67.155
where: short stacking energy: -67.155
Base-Backbone interact. energy: -0.069
local terms energy: -86.551284
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -19.009
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: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -120.637677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.637677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.637677 (E_RNA)
where:
Base-Base interactions energy: -58.630
where: short stacking energy: -35.150
Base-Backbone interact. energy: -1.238
local terms energy: -60.770573
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -12.747
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: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -136.767584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.767584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.767584 (E_RNA)
where:
Base-Base interactions energy: -58.141
where: short stacking energy: -37.573
Base-Backbone interact. energy: -0.177
local terms energy: -78.449382
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -12.753
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: 3
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -148.579470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.579470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.579470 (E_RNA)
where:
Base-Base interactions energy: -79.722
where: short stacking energy: -51.014
Base-Backbone interact. energy: 2.396
local terms energy: -71.252868
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -7.185
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -15.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -112.422072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.422072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.422072 (E_RNA)
where:
Base-Base interactions energy: -48.510
where: short stacking energy: -40.449
Base-Backbone interact. energy: 0.184
local terms energy: -64.096228
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: -8.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -97.482555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.482555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.482555 (E_RNA)
where:
Base-Base interactions energy: -35.662
where: short stacking energy: -35.662
Base-Backbone interact. energy: 2.054
local terms energy: -63.874574
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -260.392475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.392475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.392475 (E_RNA)
where:
Base-Base interactions energy: -154.367
where: short stacking energy: -101.112
Base-Backbone interact. energy: -0.003
local terms energy: -106.022463
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -30.239
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: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -253.095475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.095475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.095475 (E_RNA)
where:
Base-Base interactions energy: -155.555
where: short stacking energy: -89.651
Base-Backbone interact. energy: -0.064
local terms energy: -97.475968
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -14.311
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: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -232.601787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.601787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.601787 (E_RNA)
where:
Base-Base interactions energy: -135.949
where: short stacking energy: -91.962
Base-Backbone interact. energy: -1.056
local terms energy: -95.596296
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -10.235
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: 4, replica: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -178.154213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.154213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.154213 (E_RNA)
where:
Base-Base interactions energy: -79.976
where: short stacking energy: -60.605
Base-Backbone interact. energy: 0.074
local terms energy: -98.252286
where:
bonds (distance) C4'-P energy: -24.175
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -138.392042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.392042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.392042 (E_RNA)
where:
Base-Base interactions energy: -56.262
where: short stacking energy: -56.262
Base-Backbone interact. energy: -0.027
local terms energy: -82.102919
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -12.728
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: 6, replica: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -113.449744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.449744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.449744 (E_RNA)
where:
Base-Base interactions energy: -36.781
where: short stacking energy: -34.661
Base-Backbone interact. energy: 0.959
local terms energy: -77.627719
where:
bonds (distance) C4'-P energy: -22.047
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -2.081
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: 1
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -125.045182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.045182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.045182 (E_RNA)
where:
Base-Base interactions energy: -54.975
where: short stacking energy: -40.574
Base-Backbone interact. energy: -0.124
local terms energy: -69.946336
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -14.675
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: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -110.106503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.106503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.106503 (E_RNA)
where:
Base-Base interactions energy: -43.783
where: short stacking energy: -43.783
Base-Backbone interact. energy: -0.508
local terms energy: -65.816066
where:
bonds (distance) C4'-P energy: -8.478
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -99.577668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.577668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.577668 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -34.687
Base-Backbone interact. energy: -0.201
local terms energy: -64.689629
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -101.581341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.581341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.581341 (E_RNA)
where:
Base-Base interactions energy: -28.677
where: short stacking energy: -28.677
Base-Backbone interact. energy: -1.399
local terms energy: -71.505419
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -4.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -254.333963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.333963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.333963 (E_RNA)
where:
Base-Base interactions energy: -146.299
where: short stacking energy: -95.923
Base-Backbone interact. energy: -0.069
local terms energy: -107.966190
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -25.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -226.698711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.698711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.698711 (E_RNA)
where:
Base-Base interactions energy: -124.896
where: short stacking energy: -76.885
Base-Backbone interact. energy: -0.103
local terms energy: -101.699859
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -21.857
flat angles P-C4'-P energy: -15.116
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: 3, replica: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -222.420877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.420877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.420877 (E_RNA)
where:
Base-Base interactions energy: -120.213
where: short stacking energy: -77.747
Base-Backbone interact. energy: -0.024
local terms energy: -102.183915
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -22.614
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -22.201
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: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -139.003243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.003243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.003243 (E_RNA)
where:
Base-Base interactions energy: -63.495
where: short stacking energy: -53.049
Base-Backbone interact. energy: -0.086
local terms energy: -75.422311
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -6.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -151.520188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.520188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.520188 (E_RNA)
where:
Base-Base interactions energy: -60.135
where: short stacking energy: -60.135
Base-Backbone interact. energy: -0.319
local terms energy: -91.065625
where:
bonds (distance) C4'-P energy: -22.285
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -13.695
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: 6, replica: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -122.762710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.762710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.762710 (E_RNA)
where:
Base-Base interactions energy: -43.736
where: short stacking energy: -39.025
Base-Backbone interact. energy: -0.039
local terms energy: -78.988419
where:
bonds (distance) C4'-P energy: -21.719
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -7.042
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -13.851
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: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -112.070645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.070645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.070645 (E_RNA)
where:
Base-Base interactions energy: -39.847
where: short stacking energy: -29.237
Base-Backbone interact. energy: -0.139
local terms energy: -72.084128
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -5.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -121.832366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.832366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.832366 (E_RNA)
where:
Base-Base interactions energy: -46.811
where: short stacking energy: -36.404
Base-Backbone interact. energy: -0.665
local terms energy: -74.356609
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -8.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -101.897950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.897950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.897950 (E_RNA)
where:
Base-Base interactions energy: -39.408
where: short stacking energy: -39.022
Base-Backbone interact. energy: -0.265
local terms energy: -62.225644
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -106.634876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.634876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.634876 (E_RNA)
where:
Base-Base interactions energy: -41.272
where: short stacking energy: -30.559
Base-Backbone interact. energy: -0.735
local terms energy: -64.627989
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -4.101
tors. eta vs tors. theta energy: -6.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -232.941906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.941906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.941906 (E_RNA)
where:
Base-Base interactions energy: -142.249
where: short stacking energy: -83.433
Base-Backbone interact. energy: 0.731
local terms energy: -91.423244
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -16.150
tors. eta vs tors. theta energy: -18.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -243.592155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.592155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.592155 (E_RNA)
where:
Base-Base interactions energy: -144.077
where: short stacking energy: -90.321
Base-Backbone interact. energy: -0.045
local terms energy: -99.469481
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -26.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -242.838924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.838924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.838924 (E_RNA)
where:
Base-Base interactions energy: -144.664
where: short stacking energy: -86.018
Base-Backbone interact. energy: 1.212
local terms energy: -99.386095
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -25.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -150.311026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.311026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.311026 (E_RNA)
where:
Base-Base interactions energy: -74.173
where: short stacking energy: -61.443
Base-Backbone interact. energy: -0.212
local terms energy: -75.926451
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -11.215
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: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -127.219095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.219095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.219095 (E_RNA)
where:
Base-Base interactions energy: -44.297
where: short stacking energy: -37.503
Base-Backbone interact. energy: -0.192
local terms energy: -82.729992
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -11.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -123.167217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.167217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.167217 (E_RNA)
where:
Base-Base interactions energy: -47.701
where: short stacking energy: -47.218
Base-Backbone interact. energy: -0.186
local terms energy: -75.280794
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -8.570
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: 7, replica: 9
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -121.048743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.048743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.048743 (E_RNA)
where:
Base-Base interactions energy: -46.106
where: short stacking energy: -46.106
Base-Backbone interact. energy: -0.074
local terms energy: -74.868064
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -6.114
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: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -112.995234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.995234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.995234 (E_RNA)
where:
Base-Base interactions energy: -29.192
where: short stacking energy: -27.501
Base-Backbone interact. energy: -0.529
local terms energy: -83.274373
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -15.225
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: 9, replica: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -113.086905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.086905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.086905 (E_RNA)
where:
Base-Base interactions energy: -51.610
where: short stacking energy: -34.784
Base-Backbone interact. energy: 0.997
local terms energy: -62.473354
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -5.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -94.771221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.771221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.771221 (E_RNA)
where:
Base-Base interactions energy: -26.834
where: short stacking energy: -25.635
Base-Backbone interact. energy: -0.170
local terms energy: -67.766821
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: 4.391
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: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -230.476962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.476962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.476962 (E_RNA)
where:
Base-Base interactions energy: -132.473
where: short stacking energy: -79.067
Base-Backbone interact. energy: -1.808
local terms energy: -96.196873
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -18.080
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: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -244.954855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.954855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.954855 (E_RNA)
where:
Base-Base interactions energy: -143.572
where: short stacking energy: -81.006
Base-Backbone interact. energy: -0.370
local terms energy: -101.012783
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -24.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -226.709093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.709093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.709093 (E_RNA)
where:
Base-Base interactions energy: -127.448
where: short stacking energy: -74.878
Base-Backbone interact. energy: -0.346
local terms energy: -98.914532
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -24.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -173.264196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.264196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.264196 (E_RNA)
where:
Base-Base interactions energy: -91.246
where: short stacking energy: -58.454
Base-Backbone interact. energy: -0.406
local terms energy: -81.612436
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -23.667
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -8.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -141.878866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.878866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.878866 (E_RNA)
where:
Base-Base interactions energy: -57.967
where: short stacking energy: -55.474
Base-Backbone interact. energy: -0.052
local terms energy: -83.859907
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -13.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -119.852008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.852008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.852008 (E_RNA)
where:
Base-Base interactions energy: -42.953
where: short stacking energy: -42.496
Base-Backbone interact. energy: -0.208
local terms energy: -76.690797
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -14.739
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: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -123.503093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.503093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.503093 (E_RNA)
where:
Base-Base interactions energy: -42.525
where: short stacking energy: -41.236
Base-Backbone interact. energy: -0.395
local terms energy: -80.582529
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -10.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -116.704723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.704723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.704723 (E_RNA)
where:
Base-Base interactions energy: -42.187
where: short stacking energy: -42.044
Base-Backbone interact. energy: -0.644
local terms energy: -73.873427
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -103.417278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.417278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.417278 (E_RNA)
where:
Base-Base interactions energy: -40.635
where: short stacking energy: -29.913
Base-Backbone interact. energy: 0.791
local terms energy: -63.572934
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: 4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -92.275427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.275427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.275427 (E_RNA)
where:
Base-Base interactions energy: -29.637
where: short stacking energy: -26.868
Base-Backbone interact. energy: -0.293
local terms energy: -62.345296
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -236.444777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.444777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.444777 (E_RNA)
where:
Base-Base interactions energy: -142.856
where: short stacking energy: -79.425
Base-Backbone interact. energy: -0.099
local terms energy: -93.490092
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -244.766820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.766820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.766820 (E_RNA)
where:
Base-Base interactions energy: -140.335
where: short stacking energy: -83.921
Base-Backbone interact. energy: -0.096
local terms energy: -104.335974
where:
bonds (distance) C4'-P energy: -23.720
bonds (distance) P-C4' energy: -21.688
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -11.930
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: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -237.564948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.564948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.564948 (E_RNA)
where:
Base-Base interactions energy: -145.369
where: short stacking energy: -88.601
Base-Backbone interact. energy: -0.065
local terms energy: -92.130929
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -25.244
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: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -178.421693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.421693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.421693 (E_RNA)
where:
Base-Base interactions energy: -92.428
where: short stacking energy: -66.800
Base-Backbone interact. energy: -0.311
local terms energy: -85.682332
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -145.789628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.789628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.789628 (E_RNA)
where:
Base-Base interactions energy: -65.082
where: short stacking energy: -65.082
Base-Backbone interact. energy: -0.045
local terms energy: -80.662379
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -127.772668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.772668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.772668 (E_RNA)
where:
Base-Base interactions energy: -48.868
where: short stacking energy: -46.596
Base-Backbone interact. energy: -0.541
local terms energy: -78.363216
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -6.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -122.000291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.000291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.000291 (E_RNA)
where:
Base-Base interactions energy: -41.134
where: short stacking energy: -41.134
Base-Backbone interact. energy: -0.229
local terms energy: -80.637354
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -3.711
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: 208
Temperature: 1.250000
Total energy: -103.798322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.798322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.798322 (E_RNA)
where:
Base-Base interactions energy: -38.966
where: short stacking energy: -33.929
Base-Backbone interact. energy: -0.012
local terms energy: -64.820605
where:
bonds (distance) C4'-P energy: -21.481
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -2.999
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: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -101.463165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.463165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.463165 (E_RNA)
where:
Base-Base interactions energy: -27.907
where: short stacking energy: -28.507
Base-Backbone interact. energy: 1.780
local terms energy: -75.336257
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -97.287458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.287458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.287458 (E_RNA)
where:
Base-Base interactions energy: -30.520
where: short stacking energy: -30.520
Base-Backbone interact. energy: -0.282
local terms energy: -66.484633
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: 0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -239.243497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.243497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.243497 (E_RNA)
where:
Base-Base interactions energy: -146.680
where: short stacking energy: -85.676
Base-Backbone interact. energy: -1.442
local terms energy: -91.121505
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -19.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -249.096871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.096871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.096871 (E_RNA)
where:
Base-Base interactions energy: -144.376
where: short stacking energy: -89.668
Base-Backbone interact. energy: -0.010
local terms energy: -104.710604
where:
bonds (distance) C4'-P energy: -24.619
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -13.436
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: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -222.904708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.904708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.904708 (E_RNA)
where:
Base-Base interactions energy: -132.466
where: short stacking energy: -84.275
Base-Backbone interact. energy: -0.127
local terms energy: -90.311003
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -19.939
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: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -139.725523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.725523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.725523 (E_RNA)
where:
Base-Base interactions energy: -58.876
where: short stacking energy: -58.876
Base-Backbone interact. energy: -0.607
local terms energy: -80.241956
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -23.688
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -9.992
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: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -134.535763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.535763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.535763 (E_RNA)
where:
Base-Base interactions energy: -52.414
where: short stacking energy: -42.729
Base-Backbone interact. energy: -0.127
local terms energy: -81.994235
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -141.222702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.222702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.222702 (E_RNA)
where:
Base-Base interactions energy: -69.447
where: short stacking energy: -62.591
Base-Backbone interact. energy: 0.398
local terms energy: -72.173516
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -12.184
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: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -112.650692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.650692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.650692 (E_RNA)
where:
Base-Base interactions energy: -35.019
where: short stacking energy: -35.019
Base-Backbone interact. energy: -0.272
local terms energy: -77.360208
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -23.894
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -11.342
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: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -97.913208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.913208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.913208 (E_RNA)
where:
Base-Base interactions energy: -36.799
where: short stacking energy: -29.685
Base-Backbone interact. energy: 0.085
local terms energy: -61.199774
where:
bonds (distance) C4'-P energy: -25.914
bonds (distance) P-C4' energy: -5.613
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -10.560
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: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -126.409487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.409487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.409487 (E_RNA)
where:
Base-Base interactions energy: -55.040
where: short stacking energy: -44.775
Base-Backbone interact. energy: 0.149
local terms energy: -71.517706
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -14.244
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: 10, replica: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -102.246034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.246034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.246034 (E_RNA)
where:
Base-Base interactions energy: -31.384
where: short stacking energy: -31.384
Base-Backbone interact. energy: 1.835
local terms energy: -72.697367
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -6.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -269.417541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.417541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.417541 (E_RNA)
where:
Base-Base interactions energy: -156.057
where: short stacking energy: -103.014
Base-Backbone interact. energy: -0.001
local terms energy: -113.359756
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -14.114
tors. eta vs tors. theta energy: -31.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -233.481507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.481507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.481507 (E_RNA)
where:
Base-Base interactions energy: -132.189
where: short stacking energy: -82.028
Base-Backbone interact. energy: -0.472
local terms energy: -100.820689
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -230.505848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.505848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.505848 (E_RNA)
where:
Base-Base interactions energy: -124.839
where: short stacking energy: -83.477
Base-Backbone interact. energy: -0.824
local terms energy: -104.842940
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -27.590
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: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -155.146834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.146834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.146834 (E_RNA)
where:
Base-Base interactions energy: -69.033
where: short stacking energy: -59.966
Base-Backbone interact. energy: -0.236
local terms energy: -85.877893
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -9.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -139.881712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.881712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.881712 (E_RNA)
where:
Base-Base interactions energy: -50.166
where: short stacking energy: -50.166
Base-Backbone interact. energy: -0.005
local terms energy: -89.710226
where:
bonds (distance) C4'-P energy: -23.687
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -131.251426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.251426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.251426 (E_RNA)
where:
Base-Base interactions energy: -55.979
where: short stacking energy: -41.549
Base-Backbone interact. energy: -0.185
local terms energy: -75.087299
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -6.791
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: 210
Temperature: 1.200000
Total energy: -125.734579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.734579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.734579 (E_RNA)
where:
Base-Base interactions energy: -48.788
where: short stacking energy: -31.258
Base-Backbone interact. energy: -0.505
local terms energy: -76.442366
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -110.676447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.676447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.676447 (E_RNA)
where:
Base-Base interactions energy: -41.081
where: short stacking energy: -39.745
Base-Backbone interact. energy: -0.103
local terms energy: -69.492729
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -100.746516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.746516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.746516 (E_RNA)
where:
Base-Base interactions energy: -34.084
where: short stacking energy: -34.041
Base-Backbone interact. energy: -0.223
local terms energy: -66.439401
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -19.990
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -99.906762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.906762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.906762 (E_RNA)
where:
Base-Base interactions energy: -32.398
where: short stacking energy: -29.783
Base-Backbone interact. energy: -0.892
local terms energy: -66.616663
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -3.084
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: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -267.600562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.600562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.600562 (E_RNA)
where:
Base-Base interactions energy: -159.276
where: short stacking energy: -104.448
Base-Backbone interact. energy: -0.041
local terms energy: -108.284148
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -23.325
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -31.567
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: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -261.021586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.021586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.021586 (E_RNA)
where:
Base-Base interactions energy: -147.852
where: short stacking energy: -104.538
Base-Backbone interact. energy: -0.048
local terms energy: -113.121256
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -31.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -225.522097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.522097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.522097 (E_RNA)
where:
Base-Base interactions energy: -134.442
where: short stacking energy: -77.531
Base-Backbone interact. energy: -0.086
local terms energy: -90.993852
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -21.570
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -153.676329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.676329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.676329 (E_RNA)
where:
Base-Base interactions energy: -65.185
where: short stacking energy: -59.330
Base-Backbone interact. energy: -0.075
local terms energy: -88.416499
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -14.363
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: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -131.126836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.126836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.126836 (E_RNA)
where:
Base-Base interactions energy: -59.425
where: short stacking energy: -45.259
Base-Backbone interact. energy: -0.167
local terms energy: -71.535412
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -12.137
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: 6, replica: 9
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -134.106724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.106724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.106724 (E_RNA)
where:
Base-Base interactions energy: -60.533
where: short stacking energy: -43.763
Base-Backbone interact. energy: -0.172
local terms energy: -73.401277
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -116.325761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.325761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.325761 (E_RNA)
where:
Base-Base interactions energy: -47.631
where: short stacking energy: -26.011
Base-Backbone interact. energy: -0.176
local terms energy: -68.518680
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -112.783526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.783526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.783526 (E_RNA)
where:
Base-Base interactions energy: -38.131
where: short stacking energy: -35.319
Base-Backbone interact. energy: -0.238
local terms energy: -74.414803
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -6.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -102.641076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.641076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.641076 (E_RNA)
where:
Base-Base interactions energy: -27.861
where: short stacking energy: -27.861
Base-Backbone interact. energy: 0.768
local terms energy: -75.548696
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: 1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -91.633562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.633562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.633562 (E_RNA)
where:
Base-Base interactions energy: -34.453
where: short stacking energy: -24.084
Base-Backbone interact. energy: -0.109
local terms energy: -57.072103
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -260.866732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.866732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.866732 (E_RNA)
where:
Base-Base interactions energy: -153.401
where: short stacking energy: -104.176
Base-Backbone interact. energy: -0.025
local terms energy: -107.441359
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -14.493
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: 2, replica: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -236.224616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.224616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.224616 (E_RNA)
where:
Base-Base interactions energy: -136.542
where: short stacking energy: -91.019
Base-Backbone interact. energy: -0.017
local terms energy: -99.664984
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -22.794
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -22.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -217.324475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.324475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.324475 (E_RNA)
where:
Base-Base interactions energy: -122.410
where: short stacking energy: -71.348
Base-Backbone interact. energy: 0.824
local terms energy: -95.738650
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -22.326
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -15.541
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: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -147.962638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.962638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.962638 (E_RNA)
where:
Base-Base interactions energy: -59.759
where: short stacking energy: -55.565
Base-Backbone interact. energy: 0.003
local terms energy: -88.207222
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -128.430698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.430698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.430698 (E_RNA)
where:
Base-Base interactions energy: -54.224
where: short stacking energy: -35.791
Base-Backbone interact. energy: -0.291
local terms energy: -73.915174
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -152.574222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.574222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.574222 (E_RNA)
where:
Base-Base interactions energy: -77.661
where: short stacking energy: -47.405
Base-Backbone interact. energy: -0.443
local terms energy: -74.471014
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -23.601
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -7.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -116.719848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.719848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.719848 (E_RNA)
where:
Base-Base interactions energy: -36.649
where: short stacking energy: -36.649
Base-Backbone interact. energy: -0.113
local terms energy: -79.957090
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -14.259
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: 212
Temperature: 1.250000
Total energy: -108.598828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.598828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.598828 (E_RNA)
where:
Base-Base interactions energy: -42.601
where: short stacking energy: -35.988
Base-Backbone interact. energy: -0.284
local terms energy: -65.713571
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -20.607
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -119.903410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.903410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.903410 (E_RNA)
where:
Base-Base interactions energy: -36.539
where: short stacking energy: -36.539
Base-Backbone interact. energy: 0.465
local terms energy: -83.829829
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -95.136940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.136940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.136940 (E_RNA)
where:
Base-Base interactions energy: -38.173
where: short stacking energy: -36.773
Base-Backbone interact. energy: -0.482
local terms energy: -56.481977
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -2.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -254.270643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.270643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.270643 (E_RNA)
where:
Base-Base interactions energy: -147.465
where: short stacking energy: -96.187
Base-Backbone interact. energy: -0.002
local terms energy: -106.803881
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -22.050
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -26.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -217.828359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.828359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.828359 (E_RNA)
where:
Base-Base interactions energy: -129.735
where: short stacking energy: -82.285
Base-Backbone interact. energy: -0.115
local terms energy: -87.978469
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -23.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -219.217817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.217817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.217817 (E_RNA)
where:
Base-Base interactions energy: -131.194
where: short stacking energy: -71.381
Base-Backbone interact. energy: -0.170
local terms energy: -87.854503
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -164.662606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.662606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.662606 (E_RNA)
where:
Base-Base interactions energy: -74.841
where: short stacking energy: -75.641
Base-Backbone interact. energy: -0.055
local terms energy: -89.766657
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -15.070
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: 5, replica: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -135.337901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.337901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.337901 (E_RNA)
where:
Base-Base interactions energy: -53.873
where: short stacking energy: -42.987
Base-Backbone interact. energy: -0.265
local terms energy: -81.199507
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -23.018
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -5.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -169.985978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.985978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.985978 (E_RNA)
where:
Base-Base interactions energy: -84.088
where: short stacking energy: -62.378
Base-Backbone interact. energy: -0.052
local terms energy: -85.845412
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -127.061327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.061327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.061327 (E_RNA)
where:
Base-Base interactions energy: -47.643
where: short stacking energy: -47.643
Base-Backbone interact. energy: -0.094
local terms energy: -79.325121
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -110.085686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.085686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.085686 (E_RNA)
where:
Base-Base interactions energy: -49.468
where: short stacking energy: -46.234
Base-Backbone interact. energy: -0.045
local terms energy: -60.572639
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -120.063226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.063226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.063226 (E_RNA)
where:
Base-Base interactions energy: -44.432
where: short stacking energy: -32.273
Base-Backbone interact. energy: -0.385
local terms energy: -75.246876
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -105.906222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.906222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.906222 (E_RNA)
where:
Base-Base interactions energy: -33.684
where: short stacking energy: -31.663
Base-Backbone interact. energy: -0.323
local terms energy: -71.899339
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -252.866590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.866590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.866590 (E_RNA)
where:
Base-Base interactions energy: -143.120
where: short stacking energy: -99.154
Base-Backbone interact. energy: -0.028
local terms energy: -109.718593
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -25.168
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -32.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -216.346749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.346749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.346749 (E_RNA)
where:
Base-Base interactions energy: -117.794
where: short stacking energy: -74.384
Base-Backbone interact. energy: -0.644
local terms energy: -97.909644
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -20.922
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: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -193.228442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.228442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.228442 (E_RNA)
where:
Base-Base interactions energy: -105.685
where: short stacking energy: -61.950
Base-Backbone interact. energy: -0.661
local terms energy: -86.882808
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -12.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -141.454194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.454194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.454194 (E_RNA)
where:
Base-Base interactions energy: -60.675
where: short stacking energy: -41.784
Base-Backbone interact. energy: 0.076
local terms energy: -80.854638
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -24.986
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -8.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -135.025915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.025915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.025915 (E_RNA)
where:
Base-Base interactions energy: -51.061
where: short stacking energy: -44.208
Base-Backbone interact. energy: -0.821
local terms energy: -83.143790
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -11.902
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: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -135.355933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.355933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.355933 (E_RNA)
where:
Base-Base interactions energy: -54.029
where: short stacking energy: -50.642
Base-Backbone interact. energy: -0.223
local terms energy: -81.104130
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -8.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -115.767318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.767318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.767318 (E_RNA)
where:
Base-Base interactions energy: -47.463
where: short stacking energy: -45.328
Base-Backbone interact. energy: -0.111
local terms energy: -68.193878
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -120.234840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.234840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.234840 (E_RNA)
where:
Base-Base interactions energy: -39.269
where: short stacking energy: -39.269
Base-Backbone interact. energy: -0.196
local terms energy: -80.769334
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -126.318190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.318190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.318190 (E_RNA)
where:
Base-Base interactions energy: -51.639
where: short stacking energy: -40.619
Base-Backbone interact. energy: 1.663
local terms energy: -76.341899
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -10.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -93.365988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.365988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.365988 (E_RNA)
where:
Base-Base interactions energy: -30.050
where: short stacking energy: -30.050
Base-Backbone interact. energy: -0.295
local terms energy: -63.021163
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: 0.107
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: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -232.974992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.974992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.974992 (E_RNA)
where:
Base-Base interactions energy: -135.300
where: short stacking energy: -77.854
Base-Backbone interact. energy: -0.400
local terms energy: -97.274947
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -16.461
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: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -202.335403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.335403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.335403 (E_RNA)
where:
Base-Base interactions energy: -108.655
where: short stacking energy: -70.837
Base-Backbone interact. energy: -0.353
local terms energy: -93.327123
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -13.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -224.611046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.611046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.611046 (E_RNA)
where:
Base-Base interactions energy: -123.696
where: short stacking energy: -81.697
Base-Backbone interact. energy: -0.050
local terms energy: -100.865334
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -15.864
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: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -136.304393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.304393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.304393 (E_RNA)
where:
Base-Base interactions energy: -65.227
where: short stacking energy: -58.301
Base-Backbone interact. energy: 0.929
local terms energy: -72.006416
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -8.758
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: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -140.838128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.838128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.838128 (E_RNA)
where:
Base-Base interactions energy: -58.701
where: short stacking energy: -46.898
Base-Backbone interact. energy: -0.497
local terms energy: -81.639493
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -111.510115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.510115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.510115 (E_RNA)
where:
Base-Base interactions energy: -34.495
where: short stacking energy: -34.495
Base-Backbone interact. energy: -0.039
local terms energy: -76.976443
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -5.616
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: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -115.407980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.407980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.407980 (E_RNA)
where:
Base-Base interactions energy: -45.694
where: short stacking energy: -44.612
Base-Backbone interact. energy: 0.058
local terms energy: -69.772212
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -126.238486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.238486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.238486 (E_RNA)
where:
Base-Base interactions energy: -53.198
where: short stacking energy: -48.004
Base-Backbone interact. energy: -0.177
local terms energy: -72.863278
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -101.243040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.243040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.243040 (E_RNA)
where:
Base-Base interactions energy: -35.824
where: short stacking energy: -30.790
Base-Backbone interact. energy: -0.120
local terms energy: -65.298801
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -9.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -93.118679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.118679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.118679 (E_RNA)
where:
Base-Base interactions energy: -25.167
where: short stacking energy: -25.167
Base-Backbone interact. energy: -0.785
local terms energy: -67.166888
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -6.940
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: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -234.801197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.801197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.801197 (E_RNA)
where:
Base-Base interactions energy: -128.984
where: short stacking energy: -79.925
Base-Backbone interact. energy: -0.041
local terms energy: -105.776309
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -16.110
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -199.652767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.652767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.652767 (E_RNA)
where:
Base-Base interactions energy: -107.488
where: short stacking energy: -74.864
Base-Backbone interact. energy: -0.955
local terms energy: -91.209595
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -228.810389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.810389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.810389 (E_RNA)
where:
Base-Base interactions energy: -131.964
where: short stacking energy: -84.341
Base-Backbone interact. energy: -0.075
local terms energy: -96.771842
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -16.169
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: 4, replica: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -137.427496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.427496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.427496 (E_RNA)
where:
Base-Base interactions energy: -55.572
where: short stacking energy: -50.541
Base-Backbone interact. energy: -0.944
local terms energy: -80.911368
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -11.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -129.685705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.685705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.685705 (E_RNA)
where:
Base-Base interactions energy: -51.572
where: short stacking energy: -45.689
Base-Backbone interact. energy: -0.076
local terms energy: -78.038000
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -125.815016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.815016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.815016 (E_RNA)
where:
Base-Base interactions energy: -60.167
where: short stacking energy: -50.973
Base-Backbone interact. energy: -0.583
local terms energy: -65.064788
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -9.237
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: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -131.228925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.228925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.228925 (E_RNA)
where:
Base-Base interactions energy: -51.454
where: short stacking energy: -51.454
Base-Backbone interact. energy: 0.441
local terms energy: -80.216415
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -15.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -110.023624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.023624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.023624 (E_RNA)
where:
Base-Base interactions energy: -40.659
where: short stacking energy: -40.659
Base-Backbone interact. energy: -0.246
local terms energy: -69.118641
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -3.709
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: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -104.114044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.114044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.114044 (E_RNA)
where:
Base-Base interactions energy: -36.176
where: short stacking energy: -35.511
Base-Backbone interact. energy: 1.762
local terms energy: -69.700098
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -95.246584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.246584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.246584 (E_RNA)
where:
Base-Base interactions energy: -30.744
where: short stacking energy: -30.744
Base-Backbone interact. energy: -0.172
local terms energy: -64.330012
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: 0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -243.310960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.310960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.310960 (E_RNA)
where:
Base-Base interactions energy: -137.522
where: short stacking energy: -87.842
Base-Backbone interact. energy: -0.130
local terms energy: -105.658256
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -23.930
flat angles P-C4'-P energy: -16.955
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: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -229.199243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.199243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.199243 (E_RNA)
where:
Base-Base interactions energy: -133.019
where: short stacking energy: -86.191
Base-Backbone interact. energy: -0.263
local terms energy: -95.917803
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -23.496
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -24.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -236.242853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.242853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.242853 (E_RNA)
where:
Base-Base interactions energy: -143.709
where: short stacking energy: -75.703
Base-Backbone interact. energy: 0.544
local terms energy: -93.077632
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -133.267228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.267228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.267228 (E_RNA)
where:
Base-Base interactions energy: -56.271
where: short stacking energy: -47.921
Base-Backbone interact. energy: -0.877
local terms energy: -76.119342
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -132.441538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.441538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.441538 (E_RNA)
where:
Base-Base interactions energy: -59.123
where: short stacking energy: -59.123
Base-Backbone interact. energy: -0.045
local terms energy: -73.273644
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -10.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -118.441820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.441820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.441820 (E_RNA)
where:
Base-Base interactions energy: -45.713
where: short stacking energy: -44.416
Base-Backbone interact. energy: -0.260
local terms energy: -72.469564
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -115.094990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.094990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.094990 (E_RNA)
where:
Base-Base interactions energy: -41.453
where: short stacking energy: -34.781
Base-Backbone interact. energy: 0.458
local terms energy: -74.100392
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -23.393
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -4.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -105.361914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.361914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.361914 (E_RNA)
where:
Base-Base interactions energy: -36.573
where: short stacking energy: -33.835
Base-Backbone interact. energy: 2.201
local terms energy: -70.989432
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -0.595
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: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -102.063352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.063352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.063352 (E_RNA)
where:
Base-Base interactions energy: -29.734
where: short stacking energy: -29.734
Base-Backbone interact. energy: -0.356
local terms energy: -71.973648
where:
bonds (distance) C4'-P energy: -21.413
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -105.896144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.896144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.896144 (E_RNA)
where:
Base-Base interactions energy: -40.362
where: short stacking energy: -32.587
Base-Backbone interact. energy: 0.976
local terms energy: -66.509854
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -254.139406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.139406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.139406 (E_RNA)
where:
Base-Base interactions energy: -144.324
where: short stacking energy: -93.508
Base-Backbone interact. energy: -0.213
local terms energy: -109.602398
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -20.572
flat angles C4'-P-C4' energy: -23.439
flat angles P-C4'-P energy: -14.712
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: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -243.088676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.088676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.088676 (E_RNA)
where:
Base-Base interactions energy: -138.298
where: short stacking energy: -83.235
Base-Backbone interact. energy: -0.114
local terms energy: -104.676556
where:
bonds (distance) C4'-P energy: -21.662
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -22.827
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -29.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -221.021057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.021057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.021057 (E_RNA)
where:
Base-Base interactions energy: -128.717
where: short stacking energy: -69.196
Base-Backbone interact. energy: -0.069
local terms energy: -92.235293
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -23.113
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -160.593202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.593202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.593202 (E_RNA)
where:
Base-Base interactions energy: -75.718
where: short stacking energy: -58.179
Base-Backbone interact. energy: -0.376
local terms energy: -84.499373
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -22.653
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -11.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -149.945832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.945832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.945832 (E_RNA)
where:
Base-Base interactions energy: -55.991
where: short stacking energy: -55.991
Base-Backbone interact. energy: -0.028
local terms energy: -93.926677
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -128.028399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.028399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.028399 (E_RNA)
where:
Base-Base interactions energy: -49.451
where: short stacking energy: -49.451
Base-Backbone interact. energy: -0.256
local terms energy: -78.321068
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -13.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -123.710767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.710767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.710767 (E_RNA)
where:
Base-Base interactions energy: -48.928
where: short stacking energy: -46.762
Base-Backbone interact. energy: -0.094
local terms energy: -74.689643
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -131.941394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.941394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.941394 (E_RNA)
where:
Base-Base interactions energy: -73.502
where: short stacking energy: -49.536
Base-Backbone interact. energy: -0.182
local terms energy: -58.257586
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -106.260940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.260940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.260940 (E_RNA)
where:
Base-Base interactions energy: -37.753
where: short stacking energy: -37.588
Base-Backbone interact. energy: 1.948
local terms energy: -70.455695
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -9.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -115.567409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.567409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.567409 (E_RNA)
where:
Base-Base interactions energy: -40.433
where: short stacking energy: -40.433
Base-Backbone interact. energy: -0.377
local terms energy: -74.757992
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -9.349
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: 1, replica: 8
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -263.714835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.714835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.714835 (E_RNA)
where:
Base-Base interactions energy: -157.035
where: short stacking energy: -103.869
Base-Backbone interact. energy: -2.546
local terms energy: -104.133791
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -33.293
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: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -256.976673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.976673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.976673 (E_RNA)
where:
Base-Base interactions energy: -143.679
where: short stacking energy: -99.243
Base-Backbone interact. energy: -0.003
local terms energy: -113.295211
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -30.771
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: 219
Temperature: 1.000000
Total energy: -246.523884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.523884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.523884 (E_RNA)
where:
Base-Base interactions energy: -149.991
where: short stacking energy: -86.512
Base-Backbone interact. energy: -0.072
local terms energy: -96.461301
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -21.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -150.615513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.615513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.615513 (E_RNA)
where:
Base-Base interactions energy: -57.410
where: short stacking energy: -57.410
Base-Backbone interact. energy: -0.055
local terms energy: -93.151048
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -23.771
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -17.781
tors. eta vs tors. theta energy: -15.019
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: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -152.534931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.534931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.534931 (E_RNA)
where:
Base-Base interactions energy: -67.897
where: short stacking energy: -48.194
Base-Backbone interact. energy: -0.360
local terms energy: -84.278083
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -133.938155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.938155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.938155 (E_RNA)
where:
Base-Base interactions energy: -52.306
where: short stacking energy: -52.306
Base-Backbone interact. energy: -0.005
local terms energy: -81.626705
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -12.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -112.654006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.654006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.654006 (E_RNA)
where:
Base-Base interactions energy: -48.804
where: short stacking energy: -40.967
Base-Backbone interact. energy: -0.483
local terms energy: -63.366871
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -113.703934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.703934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.703934 (E_RNA)
where:
Base-Base interactions energy: -39.489
where: short stacking energy: -39.088
Base-Backbone interact. energy: -0.124
local terms energy: -74.090857
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -107.633536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.633536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.633536 (E_RNA)
where:
Base-Base interactions energy: -40.900
where: short stacking energy: -36.548
Base-Backbone interact. energy: -0.240
local terms energy: -66.493611
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -115.987861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.987861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.987861 (E_RNA)
where:
Base-Base interactions energy: -42.729
where: short stacking energy: -38.133
Base-Backbone interact. energy: -0.039
local terms energy: -73.219848
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -7.618
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: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -268.300204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.300204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.300204 (E_RNA)
where:
Base-Base interactions energy: -154.097
where: short stacking energy: -108.715
Base-Backbone interact. energy: -0.097
local terms energy: -114.106502
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -31.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -253.924842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.924842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.924842 (E_RNA)
where:
Base-Base interactions energy: -136.726
where: short stacking energy: -96.131
Base-Backbone interact. energy: 0.028
local terms energy: -117.227105
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -31.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -232.787365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.787365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.787365 (E_RNA)
where:
Base-Base interactions energy: -134.396
where: short stacking energy: -74.871
Base-Backbone interact. energy: -0.018
local terms energy: -98.373503
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -20.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -163.086489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.086489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.086489 (E_RNA)
where:
Base-Base interactions energy: -66.926
where: short stacking energy: -66.926
Base-Backbone interact. energy: -0.008
local terms energy: -96.152180
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -20.888
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: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -169.319921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.319921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.319921 (E_RNA)
where:
Base-Base interactions energy: -92.611
where: short stacking energy: -62.952
Base-Backbone interact. energy: -0.084
local terms energy: -76.625507
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -20.456
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -12.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -120.699465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.699465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.699465 (E_RNA)
where:
Base-Base interactions energy: -42.320
where: short stacking energy: -42.320
Base-Backbone interact. energy: -0.512
local terms energy: -77.867814
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -130.097996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.097996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.097996 (E_RNA)
where:
Base-Base interactions energy: -57.409
where: short stacking energy: -35.889
Base-Backbone interact. energy: -0.333
local terms energy: -72.356417
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -4.231
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: 3
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -113.622791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.622791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.622791 (E_RNA)
where:
Base-Base interactions energy: -43.981
where: short stacking energy: -36.208
Base-Backbone interact. energy: -0.128
local terms energy: -69.513885
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -23.960
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -114.136341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.136341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.136341 (E_RNA)
where:
Base-Base interactions energy: -44.013
where: short stacking energy: -44.013
Base-Backbone interact. energy: -0.032
local terms energy: -70.090945
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -111.801694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.801694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.801694 (E_RNA)
where:
Base-Base interactions energy: -37.699
where: short stacking energy: -37.649
Base-Backbone interact. energy: -0.246
local terms energy: -73.856363
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -19.928
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -7.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -249.061494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.061494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.061494 (E_RNA)
where:
Base-Base interactions energy: -147.888
where: short stacking energy: -103.451
Base-Backbone interact. energy: -0.003
local terms energy: -101.169956
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -32.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -248.780433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.780433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.780433 (E_RNA)
where:
Base-Base interactions energy: -140.055
where: short stacking energy: -98.439
Base-Backbone interact. energy: -2.200
local terms energy: -106.526037
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -30.496
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: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -232.178924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.178924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.178924 (E_RNA)
where:
Base-Base interactions energy: -139.915
where: short stacking energy: -78.491
Base-Backbone interact. energy: -0.043
local terms energy: -92.220410
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -14.233
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: 4, replica: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -181.420226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.420226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.420226 (E_RNA)
where:
Base-Base interactions energy: -101.154
where: short stacking energy: -48.046
Base-Backbone interact. energy: -0.158
local terms energy: -80.107761
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -10.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -136.882547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.882547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.882547 (E_RNA)
where:
Base-Base interactions energy: -49.915
where: short stacking energy: -48.872
Base-Backbone interact. energy: -0.124
local terms energy: -86.843611
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -21.938
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -114.492687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.492687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.492687 (E_RNA)
where:
Base-Base interactions energy: -44.364
where: short stacking energy: -44.364
Base-Backbone interact. energy: 2.119
local terms energy: -72.247405
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -116.145531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.145531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.145531 (E_RNA)
where:
Base-Base interactions energy: -46.190
where: short stacking energy: -43.705
Base-Backbone interact. energy: -0.442
local terms energy: -69.514243
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -3.854
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: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -109.765275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.765275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.765275 (E_RNA)
where:
Base-Base interactions energy: -44.779
where: short stacking energy: -39.267
Base-Backbone interact. energy: -0.355
local terms energy: -64.631233
where:
bonds (distance) C4'-P energy: -22.984
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -9.759
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: 2.717
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: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -108.636540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.636540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.636540 (E_RNA)
where:
Base-Base interactions energy: -36.246
where: short stacking energy: -32.604
Base-Backbone interact. energy: -0.174
local terms energy: -72.216837
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -1.101
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: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -96.372033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.372033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.372033 (E_RNA)
where:
Base-Base interactions energy: -31.586
where: short stacking energy: -31.520
Base-Backbone interact. energy: -0.252
local terms energy: -64.533415
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -250.407319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.407319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.407319 (E_RNA)
where:
Base-Base interactions energy: -138.068
where: short stacking energy: -95.689
Base-Backbone interact. energy: -0.103
local terms energy: -112.236999
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -28.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -247.780362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.780362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.780362 (E_RNA)
where:
Base-Base interactions energy: -143.527
where: short stacking energy: -82.439
Base-Backbone interact. energy: -0.003
local terms energy: -104.249707
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -21.806
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -239.920987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.920987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.920987 (E_RNA)
where:
Base-Base interactions energy: -139.943
where: short stacking energy: -79.811
Base-Backbone interact. energy: -0.090
local terms energy: -99.888566
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -22.828
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -24.549
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: 222
Temperature: 1.050000
Total energy: -167.750102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.750102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.750102 (E_RNA)
where:
Base-Base interactions energy: -83.662
where: short stacking energy: -56.648
Base-Backbone interact. energy: 0.231
local terms energy: -84.319037
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -19.856
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -8.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -140.661927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.661927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.661927 (E_RNA)
where:
Base-Base interactions energy: -54.600
where: short stacking energy: -47.049
Base-Backbone interact. energy: -0.724
local terms energy: -85.338108
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -136.995689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.995689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.995689 (E_RNA)
where:
Base-Base interactions energy: -57.941
where: short stacking energy: -47.078
Base-Backbone interact. energy: -0.748
local terms energy: -78.307327
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -6.696
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: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -110.302878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.302878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.302878 (E_RNA)
where:
Base-Base interactions energy: -42.485
where: short stacking energy: -42.485
Base-Backbone interact. energy: -0.199
local terms energy: -67.618608
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -9.851
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -10.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -125.465403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.465403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.465403 (E_RNA)
where:
Base-Base interactions energy: -53.327
where: short stacking energy: -53.327
Base-Backbone interact. energy: 0.775
local terms energy: -72.913332
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -108.349485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.349485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.349485 (E_RNA)
where:
Base-Base interactions energy: -43.038
where: short stacking energy: -42.383
Base-Backbone interact. energy: -0.648
local terms energy: -64.663042
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -105.832455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.832455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.832455 (E_RNA)
where:
Base-Base interactions energy: -43.673
where: short stacking energy: -42.276
Base-Backbone interact. energy: 0.289
local terms energy: -62.448522
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -3.980
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -262.969691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.969691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.969691 (E_RNA)
where:
Base-Base interactions energy: -145.312
where: short stacking energy: -100.198
Base-Backbone interact. energy: -0.049
local terms energy: -117.608710
where:
bonds (distance) C4'-P energy: -23.782
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -31.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -231.001561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.001561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.001561 (E_RNA)
where:
Base-Base interactions energy: -128.278
where: short stacking energy: -73.782
Base-Backbone interact. energy: -0.493
local terms energy: -102.230699
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -24.745
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -23.011
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: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -232.645535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.645535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.645535 (E_RNA)
where:
Base-Base interactions energy: -131.366
where: short stacking energy: -81.451
Base-Backbone interact. energy: -0.113
local terms energy: -101.166436
where:
bonds (distance) C4'-P energy: -20.997
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -25.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -187.667379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.667379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.667379 (E_RNA)
where:
Base-Base interactions energy: -94.337
where: short stacking energy: -72.633
Base-Backbone interact. energy: 0.259
local terms energy: -93.589923
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -16.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -160.879723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.879723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.879723 (E_RNA)
where:
Base-Base interactions energy: -76.989
where: short stacking energy: -62.061
Base-Backbone interact. energy: -0.027
local terms energy: -83.863960
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -116.062384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.062384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.062384 (E_RNA)
where:
Base-Base interactions energy: -43.378
where: short stacking energy: -43.372
Base-Backbone interact. energy: -0.641
local terms energy: -72.043233
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -115.111753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.111753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.111753 (E_RNA)
where:
Base-Base interactions energy: -45.037
where: short stacking energy: -45.037
Base-Backbone interact. energy: 2.206
local terms energy: -72.280932
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -11.425
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: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -119.514217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.514217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.514217 (E_RNA)
where:
Base-Base interactions energy: -52.357
where: short stacking energy: -50.994
Base-Backbone interact. energy: 0.289
local terms energy: -67.446738
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -12.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -113.079475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.079475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.079475 (E_RNA)
where:
Base-Base interactions energy: -44.584
where: short stacking energy: -34.120
Base-Backbone interact. energy: -0.286
local terms energy: -68.209025
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -9.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -102.521145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.521145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.521145 (E_RNA)
where:
Base-Base interactions energy: -41.856
where: short stacking energy: -39.842
Base-Backbone interact. energy: -0.079
local terms energy: -60.585323
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -21.435
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -1.812
tors. eta vs tors. theta energy: -9.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -256.800783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.800783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.800783 (E_RNA)
where:
Base-Base interactions energy: -142.335
where: short stacking energy: -100.016
Base-Backbone interact. energy: -0.065
local terms energy: -114.400060
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -31.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -243.559280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.559280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.559280 (E_RNA)
where:
Base-Base interactions energy: -143.459
where: short stacking energy: -81.182
Base-Backbone interact. energy: -0.022
local terms energy: -100.077942
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -251.957610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.957610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.957610 (E_RNA)
where:
Base-Base interactions energy: -145.100
where: short stacking energy: -101.685
Base-Backbone interact. energy: -0.082
local terms energy: -106.776405
where:
bonds (distance) C4'-P energy: -23.700
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -24.459
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -29.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -181.015319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.015319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.015319 (E_RNA)
where:
Base-Base interactions energy: -93.708
where: short stacking energy: -62.721
Base-Backbone interact. energy: -0.467
local terms energy: -86.840278
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -123.653742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.653742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.653742 (E_RNA)
where:
Base-Base interactions energy: -54.050
where: short stacking energy: -43.199
Base-Backbone interact. energy: -0.640
local terms energy: -68.963730
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -132.140627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.140627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.140627 (E_RNA)
where:
Base-Base interactions energy: -48.637
where: short stacking energy: -47.406
Base-Backbone interact. energy: -0.182
local terms energy: -83.321255
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -116.929066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.929066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.929066 (E_RNA)
where:
Base-Base interactions energy: -45.544
where: short stacking energy: -44.818
Base-Backbone interact. energy: 0.207
local terms energy: -71.592414
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -7.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -107.417644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.417644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.417644 (E_RNA)
where:
Base-Base interactions energy: -31.130
where: short stacking energy: -31.130
Base-Backbone interact. energy: -1.248
local terms energy: -75.039119
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -20.475
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -8.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -99.345851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.345851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.345851 (E_RNA)
where:
Base-Base interactions energy: -32.595
where: short stacking energy: -26.001
Base-Backbone interact. energy: -0.096
local terms energy: -66.654396
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -0.268
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -103.577827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.577827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.577827 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -24.994
Base-Backbone interact. energy: -0.086
local terms energy: -73.714526
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -16.698
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: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -255.620273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.620273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.620273 (E_RNA)
where:
Base-Base interactions energy: -146.723
where: short stacking energy: -102.780
Base-Backbone interact. energy: -0.043
local terms energy: -108.854492
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -29.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -254.226688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.226688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.226688 (E_RNA)
where:
Base-Base interactions energy: -138.973
where: short stacking energy: -103.422
Base-Backbone interact. energy: -0.049
local terms energy: -115.204670
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -24.259
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -28.510
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: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -241.219123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.219123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.219123 (E_RNA)
where:
Base-Base interactions energy: -134.221
where: short stacking energy: -85.218
Base-Backbone interact. energy: -0.157
local terms energy: -106.841321
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -26.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -153.609151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.609151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.609151 (E_RNA)
where:
Base-Base interactions energy: -59.097
where: short stacking energy: -60.097
Base-Backbone interact. energy: -0.111
local terms energy: -94.400309
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -24.109
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -17.507
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: 5, replica: 7
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -155.767312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.767312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.767312 (E_RNA)
where:
Base-Base interactions energy: -82.515
where: short stacking energy: -62.288
Base-Backbone interact. energy: 1.064
local terms energy: -74.316645
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -17.891
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -130.234275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.234275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.234275 (E_RNA)
where:
Base-Base interactions energy: -52.383
where: short stacking energy: -43.233
Base-Backbone interact. energy: -0.183
local terms energy: -77.668449
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -119.925700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.925700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.925700 (E_RNA)
where:
Base-Base interactions energy: -48.074
where: short stacking energy: -40.415
Base-Backbone interact. energy: 0.169
local terms energy: -72.020249
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -110.102579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.102579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.102579 (E_RNA)
where:
Base-Base interactions energy: -39.610
where: short stacking energy: -39.610
Base-Backbone interact. energy: -0.419
local terms energy: -70.073138
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -5.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -118.394661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.394661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.394661 (E_RNA)
where:
Base-Base interactions energy: -48.133
where: short stacking energy: -35.959
Base-Backbone interact. energy: 0.265
local terms energy: -70.526543
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -101.549697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.549697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.549697 (E_RNA)
where:
Base-Base interactions energy: -36.547
where: short stacking energy: -30.114
Base-Backbone interact. energy: -0.181
local terms energy: -64.821748
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -3.202
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: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -247.272058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.272058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.272058 (E_RNA)
where:
Base-Base interactions energy: -135.910
where: short stacking energy: -85.785
Base-Backbone interact. energy: -0.008
local terms energy: -111.353734
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -23.426
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -28.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -244.236079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.236079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.236079 (E_RNA)
where:
Base-Base interactions energy: -143.054
where: short stacking energy: -87.725
Base-Backbone interact. energy: -0.257
local terms energy: -100.925531
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -29.708
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: 226
Temperature: 1.000000
Total energy: -237.646483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.646483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.646483 (E_RNA)
where:
Base-Base interactions energy: -147.811
where: short stacking energy: -84.677
Base-Backbone interact. energy: -0.213
local terms energy: -89.622446
where:
bonds (distance) C4'-P energy: -20.275
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -158.814014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.814014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.814014 (E_RNA)
where:
Base-Base interactions energy: -61.637
where: short stacking energy: -60.766
Base-Backbone interact. energy: -0.115
local terms energy: -97.061887
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -156.503962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.503962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.503962 (E_RNA)
where:
Base-Base interactions energy: -76.519
where: short stacking energy: -53.862
Base-Backbone interact. energy: 0.353
local terms energy: -80.337325
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -125.749138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.749138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.749138 (E_RNA)
where:
Base-Base interactions energy: -45.766
where: short stacking energy: -45.766
Base-Backbone interact. energy: -0.086
local terms energy: -79.896718
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -122.687856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.687856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.687856 (E_RNA)
where:
Base-Base interactions energy: -45.123
where: short stacking energy: -45.123
Base-Backbone interact. energy: -0.126
local terms energy: -77.438482
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -109.644236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.644236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.644236 (E_RNA)
where:
Base-Base interactions energy: -36.349
where: short stacking energy: -36.649
Base-Backbone interact. energy: -0.559
local terms energy: -72.736397
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -99.481818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.481818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.481818 (E_RNA)
where:
Base-Base interactions energy: -34.178
where: short stacking energy: -31.128
Base-Backbone interact. energy: -0.577
local terms energy: -64.726981
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -100.908469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.908469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.908469 (E_RNA)
where:
Base-Base interactions energy: -28.626
where: short stacking energy: -27.954
Base-Backbone interact. energy: 1.577
local terms energy: -73.858622
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -3.744
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: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -247.916914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.916914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.916914 (E_RNA)
where:
Base-Base interactions energy: -140.303
where: short stacking energy: -98.255
Base-Backbone interact. energy: -0.005
local terms energy: -107.608688
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -29.184
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: 227
Temperature: 0.950000
Total energy: -251.683472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.683472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.683472 (E_RNA)
where:
Base-Base interactions energy: -150.689
where: short stacking energy: -89.500
Base-Backbone interact. energy: -0.161
local terms energy: -100.833482
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -23.369
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -22.720
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: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -230.213357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.213357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.213357 (E_RNA)
where:
Base-Base interactions energy: -128.838
where: short stacking energy: -83.503
Base-Backbone interact. energy: -0.137
local terms energy: -101.238139
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -25.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -147.472795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.472795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.472795 (E_RNA)
where:
Base-Base interactions energy: -60.720
where: short stacking energy: -60.720
Base-Backbone interact. energy: -0.041
local terms energy: -86.711900
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -17.950
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: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -131.903917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.903917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.903917 (E_RNA)
where:
Base-Base interactions energy: -45.366
where: short stacking energy: -40.525
Base-Backbone interact. energy: -0.480
local terms energy: -86.057785
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -119.342497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.342497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.342497 (E_RNA)
where:
Base-Base interactions energy: -41.459
where: short stacking energy: -39.380
Base-Backbone interact. energy: -0.245
local terms energy: -77.638573
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -6.291
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: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -128.012245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.012245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.012245 (E_RNA)
where:
Base-Base interactions energy: -52.069
where: short stacking energy: -52.069
Base-Backbone interact. energy: -0.079
local terms energy: -75.863701
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -112.036924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.036924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.036924 (E_RNA)
where:
Base-Base interactions energy: -53.125
where: short stacking energy: -42.886
Base-Backbone interact. energy: -0.309
local terms energy: -58.602182
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -1.815
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -109.486975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.486975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.486975 (E_RNA)
where:
Base-Base interactions energy: -41.855
where: short stacking energy: -30.071
Base-Backbone interact. energy: -0.301
local terms energy: -67.331596
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -20.808
flat angles P-C4'-P energy: -2.027
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -102.050484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.050484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.050484 (E_RNA)
where:
Base-Base interactions energy: -36.863
where: short stacking energy: -33.206
Base-Backbone interact. energy: -0.507
local terms energy: -64.680492
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: 2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -263.431494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.431494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.431494 (E_RNA)
where:
Base-Base interactions energy: -158.996
where: short stacking energy: -98.870
Base-Backbone interact. energy: -0.043
local terms energy: -104.392840
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -14.435
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: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -265.640942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.640942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.640942 (E_RNA)
where:
Base-Base interactions energy: -149.283
where: short stacking energy: -100.190
Base-Backbone interact. energy: -0.011
local terms energy: -116.347469
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -25.050
flat angles P-C4'-P energy: -13.737
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: 8
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -253.648628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.648628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.648628 (E_RNA)
where:
Base-Base interactions energy: -149.777
where: short stacking energy: -89.365
Base-Backbone interact. energy: -0.016
local terms energy: -103.855441
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -26.414
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: 4, replica: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -140.339326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.339326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.339326 (E_RNA)
where:
Base-Base interactions energy: -55.846
where: short stacking energy: -55.846
Base-Backbone interact. energy: -0.862
local terms energy: -83.631970
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -16.284
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: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -135.679530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.679530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.679530 (E_RNA)
where:
Base-Base interactions energy: -58.346
where: short stacking energy: -37.516
Base-Backbone interact. energy: -1.008
local terms energy: -76.325885
where:
bonds (distance) C4'-P energy: -22.664
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -126.531185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.531185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.531185 (E_RNA)
where:
Base-Base interactions energy: -56.260
where: short stacking energy: -36.660
Base-Backbone interact. energy: -1.225
local terms energy: -69.045748
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -115.064749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.064749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.064749 (E_RNA)
where:
Base-Base interactions energy: -41.681
where: short stacking energy: -38.340
Base-Backbone interact. energy: 0.608
local terms energy: -73.991944
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -7.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -114.957303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.957303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.957303 (E_RNA)
where:
Base-Base interactions energy: -42.851
where: short stacking energy: -42.851
Base-Backbone interact. energy: -0.031
local terms energy: -72.075086
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -102.930406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.930406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.930406 (E_RNA)
where:
Base-Base interactions energy: -35.702
where: short stacking energy: -29.018
Base-Backbone interact. energy: -0.243
local terms energy: -66.985449
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: 0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -93.802802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.802802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.802802 (E_RNA)
where:
Base-Base interactions energy: -33.253
where: short stacking energy: -23.204
Base-Backbone interact. energy: -0.541
local terms energy: -60.009543
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: 2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -267.093543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.093543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.093543 (E_RNA)
where:
Base-Base interactions energy: -163.756
where: short stacking energy: -96.084
Base-Backbone interact. energy: -0.017
local terms energy: -103.320934
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: -27.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -242.193277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.193277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.193277 (E_RNA)
where:
Base-Base interactions energy: -134.557
where: short stacking energy: -96.087
Base-Backbone interact. energy: -0.012
local terms energy: -107.623770
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -24.800
flat angles P-C4'-P energy: -13.733
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: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -221.982259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.982259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.982259 (E_RNA)
where:
Base-Base interactions energy: -122.637
where: short stacking energy: -81.674
Base-Backbone interact. energy: -0.168
local terms energy: -99.176860
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -23.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -136.300935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.300935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.300935 (E_RNA)
where:
Base-Base interactions energy: -62.125
where: short stacking energy: -50.640
Base-Backbone interact. energy: -0.226
local terms energy: -73.950142
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -132.711069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.711069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.711069 (E_RNA)
where:
Base-Base interactions energy: -53.016
where: short stacking energy: -53.016
Base-Backbone interact. energy: -0.100
local terms energy: -79.594369
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -25.125
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -14.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -145.088333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.088333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.088333 (E_RNA)
where:
Base-Base interactions energy: -63.079
where: short stacking energy: -53.799
Base-Backbone interact. energy: 1.006
local terms energy: -83.014957
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -116.204783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.204783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.204783 (E_RNA)
where:
Base-Base interactions energy: -37.939
where: short stacking energy: -37.939
Base-Backbone interact. energy: -0.302
local terms energy: -77.963461
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -23.949
flat angles C4'-P-C4' energy: -22.120
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -124.265489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.265489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.265489 (E_RNA)
where:
Base-Base interactions energy: -55.695
where: short stacking energy: -51.661
Base-Backbone interact. energy: -0.109
local terms energy: -68.461440
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -5.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -100.463042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.463042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.463042 (E_RNA)
where:
Base-Base interactions energy: -36.176
where: short stacking energy: -28.415
Base-Backbone interact. energy: -0.120
local terms energy: -64.167265
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -101.859484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.859484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.859484 (E_RNA)
where:
Base-Base interactions energy: -30.503
where: short stacking energy: -30.503
Base-Backbone interact. energy: -0.104
local terms energy: -71.252916
where:
bonds (distance) C4'-P energy: -23.101
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -8.387
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: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -257.985088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.985088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.985088 (E_RNA)
where:
Base-Base interactions energy: -154.295
where: short stacking energy: -88.443
Base-Backbone interact. energy: 0.142
local terms energy: -103.831600
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -21.181
flat angles P-C4'-P energy: -17.525
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: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -212.364690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.364690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.364690 (E_RNA)
where:
Base-Base interactions energy: -111.428
where: short stacking energy: -76.673
Base-Backbone interact. energy: -0.116
local terms energy: -100.820007
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -20.117
flat angles C4'-P-C4' energy: -23.222
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -218.630641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.630641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.630641 (E_RNA)
where:
Base-Base interactions energy: -119.414
where: short stacking energy: -76.771
Base-Backbone interact. energy: -0.002
local terms energy: -99.214518
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -133.010985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.010985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.010985 (E_RNA)
where:
Base-Base interactions energy: -54.181
where: short stacking energy: -48.371
Base-Backbone interact. energy: -0.020
local terms energy: -78.810125
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -11.118
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: 5, replica: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -150.349959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.349959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.349959 (E_RNA)
where:
Base-Base interactions energy: -58.456
where: short stacking energy: -55.975
Base-Backbone interact. energy: -0.013
local terms energy: -91.880838
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -122.233981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.233981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.233981 (E_RNA)
where:
Base-Base interactions energy: -43.978
where: short stacking energy: -38.395
Base-Backbone interact. energy: 0.395
local terms energy: -78.650527
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -118.645476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.645476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.645476 (E_RNA)
where:
Base-Base interactions energy: -41.330
where: short stacking energy: -40.278
Base-Backbone interact. energy: -0.321
local terms energy: -76.994318
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -107.454944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.454944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.454944 (E_RNA)
where:
Base-Base interactions energy: -47.705
where: short stacking energy: -32.877
Base-Backbone interact. energy: -0.394
local terms energy: -59.356392
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -7.428
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: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -103.651572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.651572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.651572 (E_RNA)
where:
Base-Base interactions energy: -39.292
where: short stacking energy: -34.790
Base-Backbone interact. energy: -0.347
local terms energy: -64.012633
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -102.169235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.169235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.169235 (E_RNA)
where:
Base-Base interactions energy: -34.095
where: short stacking energy: -34.095
Base-Backbone interact. energy: -0.361
local terms energy: -67.713966
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -10.315
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: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -266.714193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.714193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.714193 (E_RNA)
where:
Base-Base interactions energy: -158.312
where: short stacking energy: -94.238
Base-Backbone interact. energy: -0.096
local terms energy: -108.305514
where:
bonds (distance) C4'-P energy: -21.406
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -26.912
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: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -212.714547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.714547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.714547 (E_RNA)
where:
Base-Base interactions energy: -110.387
where: short stacking energy: -73.443
Base-Backbone interact. energy: -0.127
local terms energy: -102.200290
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -19.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -220.400317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.400317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.400317 (E_RNA)
where:
Base-Base interactions energy: -130.187
where: short stacking energy: -76.766
Base-Backbone interact. energy: 0.090
local terms energy: -90.302766
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -19.677
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -18.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -153.549000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.549000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.549000 (E_RNA)
where:
Base-Base interactions energy: -75.774
where: short stacking energy: -75.774
Base-Backbone interact. energy: 0.406
local terms energy: -78.180587
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -149.184032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.184032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.184032 (E_RNA)
where:
Base-Base interactions energy: -58.277
where: short stacking energy: -56.587
Base-Backbone interact. energy: -0.587
local terms energy: -90.320229
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -126.760259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.760259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.760259 (E_RNA)
where:
Base-Base interactions energy: -49.842
where: short stacking energy: -38.887
Base-Backbone interact. energy: -0.359
local terms energy: -76.558955
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -20.574
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -126.845665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.845665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.845665 (E_RNA)
where:
Base-Base interactions energy: -57.346
where: short stacking energy: -42.506
Base-Backbone interact. energy: 0.040
local terms energy: -69.540396
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -8.088
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: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -120.244388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.244388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.244388 (E_RNA)
where:
Base-Base interactions energy: -50.798
where: short stacking energy: -40.193
Base-Backbone interact. energy: -0.323
local terms energy: -69.122868
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -102.838923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.838923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.838923 (E_RNA)
where:
Base-Base interactions energy: -28.698
where: short stacking energy: -25.894
Base-Backbone interact. energy: -0.066
local terms energy: -74.074349
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -111.143302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.143302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.143302 (E_RNA)
where:
Base-Base interactions energy: -33.295
where: short stacking energy: -33.295
Base-Backbone interact. energy: -0.165
local terms energy: -77.683363
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -254.553727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.553727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.553727 (E_RNA)
where:
Base-Base interactions energy: -150.808
where: short stacking energy: -91.814
Base-Backbone interact. energy: -0.124
local terms energy: -103.622170
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -27.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -212.302125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.302125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.302125 (E_RNA)
where:
Base-Base interactions energy: -107.324
where: short stacking energy: -67.681
Base-Backbone interact. energy: -0.241
local terms energy: -104.736610
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -21.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -225.568081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.568081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.568081 (E_RNA)
where:
Base-Base interactions energy: -127.819
where: short stacking energy: -88.266
Base-Backbone interact. energy: -0.112
local terms energy: -97.637474
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -166.811255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.811255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.811255 (E_RNA)
where:
Base-Base interactions energy: -70.085
where: short stacking energy: -70.085
Base-Backbone interact. energy: -0.053
local terms energy: -96.673030
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -21.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -125.731432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.731432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.731432 (E_RNA)
where:
Base-Base interactions energy: -46.589
where: short stacking energy: -39.580
Base-Backbone interact. energy: -0.272
local terms energy: -78.870978
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -8.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -132.582553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.582553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.582553 (E_RNA)
where:
Base-Base interactions energy: -48.273
where: short stacking energy: -43.644
Base-Backbone interact. energy: -0.179
local terms energy: -84.130165
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -149.726844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.726844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.726844 (E_RNA)
where:
Base-Base interactions energy: -78.855
where: short stacking energy: -48.953
Base-Backbone interact. energy: -0.374
local terms energy: -70.498151
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -109.882390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.882390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.882390 (E_RNA)
where:
Base-Base interactions energy: -39.346
where: short stacking energy: -27.791
Base-Backbone interact. energy: -0.335
local terms energy: -70.200513
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -2.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -109.895572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.895572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.895572 (E_RNA)
where:
Base-Base interactions energy: -32.570
where: short stacking energy: -28.192
Base-Backbone interact. energy: -0.379
local terms energy: -76.946141
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -107.406978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.406978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.406978 (E_RNA)
where:
Base-Base interactions energy: -32.137
where: short stacking energy: -32.137
Base-Backbone interact. energy: 0.486
local terms energy: -75.755271
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -262.064129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.064129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.064129 (E_RNA)
where:
Base-Base interactions energy: -153.547
where: short stacking energy: -85.952
Base-Backbone interact. energy: -0.004
local terms energy: -108.512425
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -22.478
flat angles P-C4'-P energy: -18.194
tors. eta vs tors. theta energy: -25.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -225.308532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.308532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.308532 (E_RNA)
where:
Base-Base interactions energy: -126.350
where: short stacking energy: -85.036
Base-Backbone interact. energy: -0.003
local terms energy: -98.955476
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -25.493
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: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -198.814900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.814900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.814900 (E_RNA)
where:
Base-Base interactions energy: -109.415
where: short stacking energy: -66.868
Base-Backbone interact. energy: -0.346
local terms energy: -89.053374
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -18.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -139.363362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.363362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.363362 (E_RNA)
where:
Base-Base interactions energy: -55.831
where: short stacking energy: -38.340
Base-Backbone interact. energy: -0.163
local terms energy: -83.368868
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -132.985704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.985704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.985704 (E_RNA)
where:
Base-Base interactions energy: -50.891
where: short stacking energy: -50.891
Base-Backbone interact. energy: -0.129
local terms energy: -81.965450
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -11.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -154.206081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.206081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.206081 (E_RNA)
where:
Base-Base interactions energy: -68.883
where: short stacking energy: -51.819
Base-Backbone interact. energy: -0.145
local terms energy: -85.179017
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -12.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -115.050878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.050878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.050878 (E_RNA)
where:
Base-Base interactions energy: -48.404
where: short stacking energy: -48.404
Base-Backbone interact. energy: -0.105
local terms energy: -66.542645
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -1.791
tors. eta vs tors. theta energy: -10.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -109.370263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.370263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.370263 (E_RNA)
where:
Base-Base interactions energy: -43.834
where: short stacking energy: -41.857
Base-Backbone interact. energy: -0.208
local terms energy: -65.328726
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -6.709
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: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -104.497608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.497608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.497608 (E_RNA)
where:
Base-Base interactions energy: -32.284
where: short stacking energy: -32.284
Base-Backbone interact. energy: -0.354
local terms energy: -71.860151
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -25.336
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -101.206933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.206933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.206933 (E_RNA)
where:
Base-Base interactions energy: -40.961
where: short stacking energy: -39.093
Base-Backbone interact. energy: -0.344
local terms energy: -59.901545
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -21.818
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -220.181445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.181445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.181445 (E_RNA)
where:
Base-Base interactions energy: -127.516
where: short stacking energy: -82.443
Base-Backbone interact. energy: -0.517
local terms energy: -92.148641
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -18.864
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: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -263.723945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.723945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.723945 (E_RNA)
where:
Base-Base interactions energy: -160.156
where: short stacking energy: -88.947
Base-Backbone interact. energy: -0.095
local terms energy: -103.472405
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -27.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -204.679794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.679794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.679794 (E_RNA)
where:
Base-Base interactions energy: -117.415
where: short stacking energy: -67.095
Base-Backbone interact. energy: -0.221
local terms energy: -87.043489
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -16.353
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -155.296431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.296431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.296431 (E_RNA)
where:
Base-Base interactions energy: -64.612
where: short stacking energy: -59.040
Base-Backbone interact. energy: -0.261
local terms energy: -90.423973
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -13.404
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: 5, replica: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -168.841965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.841965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.841965 (E_RNA)
where:
Base-Base interactions energy: -82.811
where: short stacking energy: -57.300
Base-Backbone interact. energy: -0.528
local terms energy: -85.503313
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -14.823
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: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -111.724658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.724658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.724658 (E_RNA)
where:
Base-Base interactions energy: -52.908
where: short stacking energy: -45.232
Base-Backbone interact. energy: -0.611
local terms energy: -58.205822
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -1.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -127.515045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.515045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.515045 (E_RNA)
where:
Base-Base interactions energy: -58.542
where: short stacking energy: -38.736
Base-Backbone interact. energy: -0.140
local terms energy: -68.832518
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -8.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -112.077513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.077513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.077513 (E_RNA)
where:
Base-Base interactions energy: -40.573
where: short stacking energy: -37.390
Base-Backbone interact. energy: -0.246
local terms energy: -71.258501
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -9.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -103.383237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.383237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.383237 (E_RNA)
where:
Base-Base interactions energy: -30.612
where: short stacking energy: -30.612
Base-Backbone interact. energy: 0.582
local terms energy: -73.353180
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -91.641447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.641447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.641447 (E_RNA)
where:
Base-Base interactions energy: -38.247
where: short stacking energy: -35.498
Base-Backbone interact. energy: 0.087
local terms energy: -53.480854
where:
bonds (distance) C4'-P energy: -22.541
bonds (distance) P-C4' energy: -8.724
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: 0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -231.020121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.020121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.020121 (E_RNA)
where:
Base-Base interactions energy: -130.347
where: short stacking energy: -86.214
Base-Backbone interact. energy: -1.120
local terms energy: -99.552828
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -24.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -269.827020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.827020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.827020 (E_RNA)
where:
Base-Base interactions energy: -160.907
where: short stacking energy: -94.221
Base-Backbone interact. energy: 0.524
local terms energy: -109.444706
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -29.368
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: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -223.327515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.327515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.327515 (E_RNA)
where:
Base-Base interactions energy: -136.275
where: short stacking energy: -78.171
Base-Backbone interact. energy: -0.186
local terms energy: -86.866696
where:
bonds (distance) C4'-P energy: -21.250
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -9.061
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: 4, replica: 6
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -158.851892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.851892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.851892 (E_RNA)
where:
Base-Base interactions energy: -79.178
where: short stacking energy: -56.472
Base-Backbone interact. energy: 0.487
local terms energy: -80.160881
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -8.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -151.929608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.929608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.929608 (E_RNA)
where:
Base-Base interactions energy: -71.496
where: short stacking energy: -45.248
Base-Backbone interact. energy: -0.300
local terms energy: -80.133894
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -131.908960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.908960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.908960 (E_RNA)
where:
Base-Base interactions energy: -52.594
where: short stacking energy: -52.594
Base-Backbone interact. energy: -0.147
local terms energy: -79.168125
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -14.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -122.134686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.134686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.134686 (E_RNA)
where:
Base-Base interactions energy: -46.745
where: short stacking energy: -44.191
Base-Backbone interact. energy: -0.340
local terms energy: -75.049921
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -10.225
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: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -107.045602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.045602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.045602 (E_RNA)
where:
Base-Base interactions energy: -41.684
where: short stacking energy: -32.909
Base-Backbone interact. energy: -0.961
local terms energy: -64.400112
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -104.814986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.814986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.814986 (E_RNA)
where:
Base-Base interactions energy: -42.986
where: short stacking energy: -24.118
Base-Backbone interact. energy: -0.235
local terms energy: -61.593873
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: 1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -106.336297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.336297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.336297 (E_RNA)
where:
Base-Base interactions energy: -39.493
where: short stacking energy: -34.952
Base-Backbone interact. energy: 1.319
local terms energy: -68.162010
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -276.137927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.137927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.137927 (E_RNA)
where:
Base-Base interactions energy: -165.870
where: short stacking energy: -97.431
Base-Backbone interact. energy: 0.034
local terms energy: -110.302135
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -28.815
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: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -231.558938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.558938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.558938 (E_RNA)
where:
Base-Base interactions energy: -135.100
where: short stacking energy: -91.358
Base-Backbone interact. energy: -0.021
local terms energy: -96.438005
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -231.447809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.447809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.447809 (E_RNA)
where:
Base-Base interactions energy: -132.381
where: short stacking energy: -88.363
Base-Backbone interact. energy: -0.011
local terms energy: -99.055493
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -20.221
tors. eta vs tors. theta energy: -25.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -155.925028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.925028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.925028 (E_RNA)
where:
Base-Base interactions energy: -73.138
where: short stacking energy: -49.835
Base-Backbone interact. energy: -0.179
local terms energy: -82.608279
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -23.370
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -143.104716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.104716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.104716 (E_RNA)
where:
Base-Base interactions energy: -55.762
where: short stacking energy: -54.092
Base-Backbone interact. energy: -0.028
local terms energy: -87.314160
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -11.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -138.291913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.291913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.291913 (E_RNA)
where:
Base-Base interactions energy: -56.671
where: short stacking energy: -50.137
Base-Backbone interact. energy: -0.245
local terms energy: -81.375710
where:
bonds (distance) C4'-P energy: -20.972
bonds (distance) P-C4' energy: -23.520
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -122.908036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.908036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.908036 (E_RNA)
where:
Base-Base interactions energy: -41.738
where: short stacking energy: -41.738
Base-Backbone interact. energy: -0.171
local terms energy: -80.999297
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -13.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -122.440410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.440410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.440410 (E_RNA)
where:
Base-Base interactions energy: -52.976
where: short stacking energy: -42.172
Base-Backbone interact. energy: -0.661
local terms energy: -68.803498
where:
bonds (distance) C4'-P energy: -21.190
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -104.135812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.135812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.135812 (E_RNA)
where:
Base-Base interactions energy: -29.978
where: short stacking energy: -28.425
Base-Backbone interact. energy: -0.409
local terms energy: -73.748634
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -1.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -103.469132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.469132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.469132 (E_RNA)
where:
Base-Base interactions energy: -31.473
where: short stacking energy: -31.473
Base-Backbone interact. energy: 0.736
local terms energy: -72.732420
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -262.458603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.458603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.458603 (E_RNA)
where:
Base-Base interactions energy: -152.807
where: short stacking energy: -92.458
Base-Backbone interact. energy: -0.028
local terms energy: -109.623056
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -26.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -242.580821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.580821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.580821 (E_RNA)
where:
Base-Base interactions energy: -139.276
where: short stacking energy: -89.165
Base-Backbone interact. energy: -0.007
local terms energy: -103.297974
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -22.174
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -27.192
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: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -232.689430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.689430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.689430 (E_RNA)
where:
Base-Base interactions energy: -135.071
where: short stacking energy: -83.836
Base-Backbone interact. energy: -0.150
local terms energy: -97.468357
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -173.267594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.267594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.267594 (E_RNA)
where:
Base-Base interactions energy: -85.070
where: short stacking energy: -63.410
Base-Backbone interact. energy: -0.118
local terms energy: -88.080273
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -150.120221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.120221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.120221 (E_RNA)
where:
Base-Base interactions energy: -64.421
where: short stacking energy: -64.421
Base-Backbone interact. energy: -0.198
local terms energy: -85.501441
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -20.093
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: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -122.304833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.304833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.304833 (E_RNA)
where:
Base-Base interactions energy: -52.468
where: short stacking energy: -38.444
Base-Backbone interact. energy: -0.412
local terms energy: -69.425444
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: 2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -110.803326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.803326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.803326 (E_RNA)
where:
Base-Base interactions energy: -37.966
where: short stacking energy: -34.163
Base-Backbone interact. energy: 0.641
local terms energy: -73.478699
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -5.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -114.824169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.824169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.824169 (E_RNA)
where:
Base-Base interactions energy: -46.272
where: short stacking energy: -46.272
Base-Backbone interact. energy: 0.382
local terms energy: -68.934504
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -5.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -96.759970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.759970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.759970 (E_RNA)
where:
Base-Base interactions energy: -28.093
where: short stacking energy: -28.893
Base-Backbone interact. energy: -0.498
local terms energy: -68.168557
where:
bonds (distance) C4'-P energy: -21.149
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -3.667
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -109.239969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.239969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.239969 (E_RNA)
where:
Base-Base interactions energy: -34.965
where: short stacking energy: -23.638
Base-Backbone interact. energy: -0.459
local terms energy: -73.816137
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: 4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -272.404667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.404667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.404667 (E_RNA)
where:
Base-Base interactions energy: -163.632
where: short stacking energy: -92.419
Base-Backbone interact. energy: -0.073
local terms energy: -108.700314
where:
bonds (distance) C4'-P energy: -24.189
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -29.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -250.951435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.951435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.951435 (E_RNA)
where:
Base-Base interactions energy: -140.805
where: short stacking energy: -99.498
Base-Backbone interact. energy: -0.024
local terms energy: -110.121608
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -19.227
tors. eta vs tors. theta energy: -30.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -227.677228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.677228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.677228 (E_RNA)
where:
Base-Base interactions energy: -129.324
where: short stacking energy: -81.930
Base-Backbone interact. energy: -0.213
local terms energy: -98.140879
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -20.693
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -21.912
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: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -154.744333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.744333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.744333 (E_RNA)
where:
Base-Base interactions energy: -66.386
where: short stacking energy: -56.841
Base-Backbone interact. energy: -0.282
local terms energy: -88.077040
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -10.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -137.858437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.858437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.858437 (E_RNA)
where:
Base-Base interactions energy: -53.687
where: short stacking energy: -53.787
Base-Backbone interact. energy: -0.305
local terms energy: -83.865992
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -13.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -139.639453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.639453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.639453 (E_RNA)
where:
Base-Base interactions energy: -72.737
where: short stacking energy: -39.736
Base-Backbone interact. energy: 0.326
local terms energy: -67.227971
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -117.609215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.609215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.609215 (E_RNA)
where:
Base-Base interactions energy: -41.179
where: short stacking energy: -36.339
Base-Backbone interact. energy: 1.335
local terms energy: -77.765207
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -9.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -111.772040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.772040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.772040 (E_RNA)
where:
Base-Base interactions energy: -51.540
where: short stacking energy: -37.215
Base-Backbone interact. energy: -0.120
local terms energy: -60.111896
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -106.739023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.739023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.739023 (E_RNA)
where:
Base-Base interactions energy: -34.495
where: short stacking energy: -31.499
Base-Backbone interact. energy: 0.903
local terms energy: -73.147235
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -21.173
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -95.301434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.301434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.301434 (E_RNA)
where:
Base-Base interactions energy: -26.868
where: short stacking energy: -26.668
Base-Backbone interact. energy: -0.066
local terms energy: -68.367764
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -14.912
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: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -273.690104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.690104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.690104 (E_RNA)
where:
Base-Base interactions energy: -170.229
where: short stacking energy: -102.707
Base-Backbone interact. energy: -0.020
local terms energy: -103.440665
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -29.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -249.411379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.411379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.411379 (E_RNA)
where:
Base-Base interactions energy: -150.067
where: short stacking energy: -98.686
Base-Backbone interact. energy: -0.145
local terms energy: -99.198650
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -19.460
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -28.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -209.448321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.448321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.448321 (E_RNA)
where:
Base-Base interactions energy: -119.421
where: short stacking energy: -77.255
Base-Backbone interact. energy: -0.016
local terms energy: -90.011960
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -20.381
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -149.881524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.881524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.881524 (E_RNA)
where:
Base-Base interactions energy: -65.723
where: short stacking energy: -65.215
Base-Backbone interact. energy: -0.113
local terms energy: -84.045508
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -22.449
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -130.036576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.036576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.036576 (E_RNA)
where:
Base-Base interactions energy: -57.493
where: short stacking energy: -57.493
Base-Backbone interact. energy: -0.190
local terms energy: -72.354040
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -127.370352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.370352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.370352 (E_RNA)
where:
Base-Base interactions energy: -56.779
where: short stacking energy: -56.779
Base-Backbone interact. energy: 4.363
local terms energy: -74.954350
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -11.009
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: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -114.546862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.546862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.546862 (E_RNA)
where:
Base-Base interactions energy: -44.815
where: short stacking energy: -42.827
Base-Backbone interact. energy: -0.033
local terms energy: -69.698368
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -109.709635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.709635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.709635 (E_RNA)
where:
Base-Base interactions energy: -34.411
where: short stacking energy: -34.411
Base-Backbone interact. energy: 0.155
local terms energy: -75.453982
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -10.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -103.977402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.977402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.977402 (E_RNA)
where:
Base-Base interactions energy: -44.826
where: short stacking energy: -42.667
Base-Backbone interact. energy: -0.167
local terms energy: -58.984173
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -100.679472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.679472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.679472 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -33.842
Base-Backbone interact. energy: -0.163
local terms energy: -63.329092
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -268.988225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.988225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.988225 (E_RNA)
where:
Base-Base interactions energy: -167.712
where: short stacking energy: -100.594
Base-Backbone interact. energy: -1.060
local terms energy: -100.215991
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -27.262
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: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -229.716133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.716133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.716133 (E_RNA)
where:
Base-Base interactions energy: -125.406
where: short stacking energy: -79.929
Base-Backbone interact. energy: -0.429
local terms energy: -103.880960
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -24.164
flat angles P-C4'-P energy: -16.348
tors. eta vs tors. theta energy: -22.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -218.620639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.620639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.620639 (E_RNA)
where:
Base-Base interactions energy: -121.503
where: short stacking energy: -80.571
Base-Backbone interact. energy: 0.145
local terms energy: -97.262547
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -22.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -139.158601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.158601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.158601 (E_RNA)
where:
Base-Base interactions energy: -54.894
where: short stacking energy: -54.303
Base-Backbone interact. energy: -0.121
local terms energy: -84.143714
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -11.900
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: 240
Temperature: 1.100000
Total energy: -150.405487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.405487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.405487 (E_RNA)
where:
Base-Base interactions energy: -68.052
where: short stacking energy: -50.048
Base-Backbone interact. energy: 0.127
local terms energy: -82.480094
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -12.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -123.369882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.369882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.369882 (E_RNA)
where:
Base-Base interactions energy: -45.203
where: short stacking energy: -45.203
Base-Backbone interact. energy: -0.091
local terms energy: -78.075881
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -22.865
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -18.123
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: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -115.214882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.214882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.214882 (E_RNA)
where:
Base-Base interactions energy: -52.047
where: short stacking energy: -24.335
Base-Backbone interact. energy: -0.191
local terms energy: -62.977308
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -12.787
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: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -111.053109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.053109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.053109 (E_RNA)
where:
Base-Base interactions energy: -40.739
where: short stacking energy: -40.739
Base-Backbone interact. energy: -0.181
local terms energy: -70.133262
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -96.553514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.553514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.553514 (E_RNA)
where:
Base-Base interactions energy: -38.566
where: short stacking energy: -36.329
Base-Backbone interact. energy: 0.771
local terms energy: -58.758509
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -9.447
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: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -95.392521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.392521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.392521 (E_RNA)
where:
Base-Base interactions energy: -37.613
where: short stacking energy: -37.773
Base-Backbone interact. energy: -0.221
local terms energy: -57.557991
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -273.592431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.592431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.592431 (E_RNA)
where:
Base-Base interactions energy: -167.983
where: short stacking energy: -95.116
Base-Backbone interact. energy: -0.034
local terms energy: -105.575254
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -17.009
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: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -250.337398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.337398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.337398 (E_RNA)
where:
Base-Base interactions energy: -143.136
where: short stacking energy: -98.866
Base-Backbone interact. energy: -0.491
local terms energy: -106.710293
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -11.092
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: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -215.927286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.927286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.927286 (E_RNA)
where:
Base-Base interactions energy: -120.161
where: short stacking energy: -69.640
Base-Backbone interact. energy: -0.045
local terms energy: -95.720954
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -149.000309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.000309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.000309 (E_RNA)
where:
Base-Base interactions energy: -56.888
where: short stacking energy: -56.043
Base-Backbone interact. energy: -0.114
local terms energy: -91.998705
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -134.980909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.980909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.980909 (E_RNA)
where:
Base-Base interactions energy: -57.763
where: short stacking energy: -49.973
Base-Backbone interact. energy: -0.453
local terms energy: -76.764673
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -7.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -129.683567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.683567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.683567 (E_RNA)
where:
Base-Base interactions energy: -47.018
where: short stacking energy: -47.018
Base-Backbone interact. energy: -0.025
local terms energy: -82.640040
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -115.530104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.530104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.530104 (E_RNA)
where:
Base-Base interactions energy: -40.885
where: short stacking energy: -39.586
Base-Backbone interact. energy: -1.379
local terms energy: -73.266520
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -9.759
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: 241
Temperature: 1.250000
Total energy: -114.158443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.158443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.158443 (E_RNA)
where:
Base-Base interactions energy: -43.550
where: short stacking energy: -43.167
Base-Backbone interact. energy: -0.089
local terms energy: -70.519385
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -9.390
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -16.680
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: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -115.839898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.839898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.839898 (E_RNA)
where:
Base-Base interactions energy: -42.301
where: short stacking energy: -42.301
Base-Backbone interact. energy: 0.329
local terms energy: -73.867750
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -10.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -94.761390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.761390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.761390 (E_RNA)
where:
Base-Base interactions energy: -35.695
where: short stacking energy: -34.020
Base-Backbone interact. energy: -0.350
local terms energy: -58.716545
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -247.803687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.803687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.803687 (E_RNA)
where:
Base-Base interactions energy: -139.893
where: short stacking energy: -87.132
Base-Backbone interact. energy: -0.131
local terms energy: -107.780136
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -28.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -258.269200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.269200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.269200 (E_RNA)
where:
Base-Base interactions energy: -154.911
where: short stacking energy: -100.573
Base-Backbone interact. energy: -0.006
local terms energy: -103.352260
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -21.291
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -27.493
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: 242
Temperature: 1.000000
Total energy: -215.108524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.108524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.108524 (E_RNA)
where:
Base-Base interactions energy: -109.598
where: short stacking energy: -68.299
Base-Backbone interact. energy: 0.350
local terms energy: -105.859971
where:
bonds (distance) C4'-P energy: -23.372
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -19.113
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: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -149.418050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.418050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.418050 (E_RNA)
where:
Base-Base interactions energy: -69.990
where: short stacking energy: -56.048
Base-Backbone interact. energy: -0.097
local terms energy: -79.331254
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -7.777
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: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -134.295639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.295639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.295639 (E_RNA)
where:
Base-Base interactions energy: -51.334
where: short stacking energy: -50.494
Base-Backbone interact. energy: -0.161
local terms energy: -82.800212
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -8.933
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: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -117.989449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.989449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.989449 (E_RNA)
where:
Base-Base interactions energy: -49.707
where: short stacking energy: -30.111
Base-Backbone interact. energy: -1.257
local terms energy: -67.025879
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -13.068
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: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -123.427446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.427446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.427446 (E_RNA)
where:
Base-Base interactions energy: -44.831
where: short stacking energy: -44.831
Base-Backbone interact. energy: -0.119
local terms energy: -78.477832
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -7.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -145.664305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.664305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.664305 (E_RNA)
where:
Base-Base interactions energy: -66.749
where: short stacking energy: -41.416
Base-Backbone interact. energy: -0.648
local terms energy: -78.267940
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -116.340881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.340881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.340881 (E_RNA)
where:
Base-Base interactions energy: -39.517
where: short stacking energy: -39.750
Base-Backbone interact. energy: -0.133
local terms energy: -76.691148
where:
bonds (distance) C4'-P energy: -22.635
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -8.556
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: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -95.869148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.869148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.869148 (E_RNA)
where:
Base-Base interactions energy: -32.874
where: short stacking energy: -30.224
Base-Backbone interact. energy: -0.602
local terms energy: -62.392856
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -250.457859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.457859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.457859 (E_RNA)
where:
Base-Base interactions energy: -134.401
where: short stacking energy: -87.401
Base-Backbone interact. energy: -0.003
local terms energy: -116.053101
where:
bonds (distance) C4'-P energy: -25.873
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -18.937
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: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -252.058070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.058070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.058070 (E_RNA)
where:
Base-Base interactions energy: -150.850
where: short stacking energy: -90.857
Base-Backbone interact. energy: -0.083
local terms energy: -101.125093
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -25.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -209.307195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.307195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.307195 (E_RNA)
where:
Base-Base interactions energy: -112.202
where: short stacking energy: -74.735
Base-Backbone interact. energy: -0.012
local terms energy: -97.092954
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -21.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -161.388483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.388483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.388483 (E_RNA)
where:
Base-Base interactions energy: -72.576
where: short stacking energy: -49.968
Base-Backbone interact. energy: -0.575
local terms energy: -88.237560
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -12.506
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: 243
Temperature: 1.100000
Total energy: -137.075708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.075708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.075708 (E_RNA)
where:
Base-Base interactions energy: -56.339
where: short stacking energy: -52.070
Base-Backbone interact. energy: -0.564
local terms energy: -80.172723
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -8.079
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: 9
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -119.137450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.137450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.137450 (E_RNA)
where:
Base-Base interactions energy: -60.562
where: short stacking energy: -42.081
Base-Backbone interact. energy: 3.112
local terms energy: -61.687868
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -129.755642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.755642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.755642 (E_RNA)
where:
Base-Base interactions energy: -46.341
where: short stacking energy: -46.341
Base-Backbone interact. energy: -0.101
local terms energy: -83.313549
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -12.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -124.354598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.354598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.354598 (E_RNA)
where:
Base-Base interactions energy: -56.488
where: short stacking energy: -26.423
Base-Backbone interact. energy: 0.396
local terms energy: -68.262953
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: 0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -101.218797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.218797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.218797 (E_RNA)
where:
Base-Base interactions energy: -32.087
where: short stacking energy: -30.243
Base-Backbone interact. energy: -0.226
local terms energy: -68.906298
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -109.039546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.039546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.039546 (E_RNA)
where:
Base-Base interactions energy: -39.840
where: short stacking energy: -39.840
Base-Backbone interact. energy: -0.244
local terms energy: -68.955353
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -12.205
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: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -267.509249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.509249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.509249 (E_RNA)
where:
Base-Base interactions energy: -154.716
where: short stacking energy: -97.094
Base-Backbone interact. energy: -0.009
local terms energy: -112.784564
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -16.335
tors. eta vs tors. theta energy: -30.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -248.270392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.270392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.270392 (E_RNA)
where:
Base-Base interactions energy: -146.347
where: short stacking energy: -99.726
Base-Backbone interact. energy: -0.021
local terms energy: -101.901667
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -21.466
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -10.921
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: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -208.247243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.247243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.247243 (E_RNA)
where:
Base-Base interactions energy: -114.408
where: short stacking energy: -70.298
Base-Backbone interact. energy: -0.029
local terms energy: -93.809972
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -153.789132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.789132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.789132 (E_RNA)
where:
Base-Base interactions energy: -71.662
where: short stacking energy: -64.915
Base-Backbone interact. energy: -1.230
local terms energy: -80.897540
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -143.015860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.015860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.015860 (E_RNA)
where:
Base-Base interactions energy: -79.669
where: short stacking energy: -54.760
Base-Backbone interact. energy: -0.380
local terms energy: -62.966657
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -5.059
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: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -151.905753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.905753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.905753 (E_RNA)
where:
Base-Base interactions energy: -66.572
where: short stacking energy: -66.572
Base-Backbone interact. energy: 0.810
local terms energy: -86.143725
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -18.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -157.590980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.590980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.590980 (E_RNA)
where:
Base-Base interactions energy: -75.156
where: short stacking energy: -54.255
Base-Backbone interact. energy: -0.262
local terms energy: -82.172595
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -108.724551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.724551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.724551 (E_RNA)
where:
Base-Base interactions energy: -34.594
where: short stacking energy: -34.594
Base-Backbone interact. energy: -0.486
local terms energy: -73.644426
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -12.507
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: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -98.533035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.533035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.533035 (E_RNA)
where:
Base-Base interactions energy: -25.372
where: short stacking energy: -24.010
Base-Backbone interact. energy: 1.399
local terms energy: -74.560061
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -10.266
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: 10, replica: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -102.127241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.127241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.127241 (E_RNA)
where:
Base-Base interactions energy: -37.300
where: short stacking energy: -37.300
Base-Backbone interact. energy: -0.046
local terms energy: -64.780599
where:
bonds (distance) C4'-P energy: -18.890
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -7.449
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: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -275.046279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.046279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.046279 (E_RNA)
where:
Base-Base interactions energy: -165.593
where: short stacking energy: -101.488
Base-Backbone interact. energy: -0.082
local terms energy: -109.371051
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -25.101
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -28.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -215.844296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.844296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.844296 (E_RNA)
where:
Base-Base interactions energy: -118.128
where: short stacking energy: -71.290
Base-Backbone interact. energy: -0.164
local terms energy: -97.552408
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -23.334
flat angles C4'-P-C4' energy: -19.330
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -19.430
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: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -220.654926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.654926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.654926 (E_RNA)
where:
Base-Base interactions energy: -129.931
where: short stacking energy: -84.858
Base-Backbone interact. energy: -0.010
local terms energy: -90.713929
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -22.230
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -22.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -141.195059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.195059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.195059 (E_RNA)
where:
Base-Base interactions energy: -61.798
where: short stacking energy: -51.830
Base-Backbone interact. energy: -0.131
local terms energy: -79.266629
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -21.258
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -180.692586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.692586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.692586 (E_RNA)
where:
Base-Base interactions energy: -92.021
where: short stacking energy: -56.075
Base-Backbone interact. energy: -1.652
local terms energy: -87.018911
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -12.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -160.320278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.320278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.320278 (E_RNA)
where:
Base-Base interactions energy: -73.072
where: short stacking energy: -47.017
Base-Backbone interact. energy: -0.296
local terms energy: -86.952460
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -16.134
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: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -112.135786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.135786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.135786 (E_RNA)
where:
Base-Base interactions energy: -48.014
where: short stacking energy: -30.041
Base-Backbone interact. energy: 0.068
local terms energy: -64.189371
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -124.778827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.778827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.778827 (E_RNA)
where:
Base-Base interactions energy: -59.632
where: short stacking energy: -46.925
Base-Backbone interact. energy: -0.378
local terms energy: -64.768897
where:
bonds (distance) C4'-P energy: -20.622
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -5.682
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: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -104.537453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.537453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.537453 (E_RNA)
where:
Base-Base interactions energy: -38.837
where: short stacking energy: -32.713
Base-Backbone interact. energy: 0.594
local terms energy: -66.294971
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -22.878
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: 2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -114.876355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.876355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.876355 (E_RNA)
where:
Base-Base interactions energy: -37.569
where: short stacking energy: -38.269
Base-Backbone interact. energy: -0.641
local terms energy: -76.666925
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -20.632
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -11.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -272.239300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.239300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.239300 (E_RNA)
where:
Base-Base interactions energy: -163.964
where: short stacking energy: -101.144
Base-Backbone interact. energy: -0.005
local terms energy: -108.270349
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -30.237
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: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -211.685957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.685957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.685957 (E_RNA)
where:
Base-Base interactions energy: -118.541
where: short stacking energy: -71.203
Base-Backbone interact. energy: -0.196
local terms energy: -92.948636
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -217.617977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.617977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.617977 (E_RNA)
where:
Base-Base interactions energy: -119.528
where: short stacking energy: -80.429
Base-Backbone interact. energy: -0.657
local terms energy: -97.432410
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -25.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -137.658697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.658697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.658697 (E_RNA)
where:
Base-Base interactions energy: -59.558
where: short stacking energy: -54.812
Base-Backbone interact. energy: -0.151
local terms energy: -77.950220
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -6.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -174.859515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.859515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.859515 (E_RNA)
where:
Base-Base interactions energy: -95.132
where: short stacking energy: -57.619
Base-Backbone interact. energy: 1.355
local terms energy: -81.082426
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -182.339497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.339497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.339497 (E_RNA)
where:
Base-Base interactions energy: -94.190
where: short stacking energy: -65.396
Base-Backbone interact. energy: -0.111
local terms energy: -88.038663
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -129.011533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.011533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.011533 (E_RNA)
where:
Base-Base interactions energy: -50.529
where: short stacking energy: -50.529
Base-Backbone interact. energy: -0.326
local terms energy: -78.156649
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -119.916247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.916247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.916247 (E_RNA)
where:
Base-Base interactions energy: -46.539
where: short stacking energy: -46.539
Base-Backbone interact. energy: 0.884
local terms energy: -74.261762
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -7.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -100.753882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.753882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.753882 (E_RNA)
where:
Base-Base interactions energy: -27.984
where: short stacking energy: -27.984
Base-Backbone interact. energy: -0.009
local terms energy: -72.760577
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -20.550
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -106.001284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.001284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.001284 (E_RNA)
where:
Base-Base interactions energy: -33.743
where: short stacking energy: -33.743
Base-Backbone interact. energy: 0.974
local terms energy: -73.232516
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -268.339988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.339988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.339988 (E_RNA)
where:
Base-Base interactions energy: -161.734
where: short stacking energy: -97.551
Base-Backbone interact. energy: -0.008
local terms energy: -106.598005
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -25.882
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -29.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -202.608916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.608916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.608916 (E_RNA)
where:
Base-Base interactions energy: -104.764
where: short stacking energy: -58.402
Base-Backbone interact. energy: -0.121
local terms energy: -97.724566
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -23.045
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -217.406329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.406329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.406329 (E_RNA)
where:
Base-Base interactions energy: -124.672
where: short stacking energy: -67.188
Base-Backbone interact. energy: -0.030
local terms energy: -92.704070
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -22.078
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -15.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -194.512460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.512460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.512460 (E_RNA)
where:
Base-Base interactions energy: -99.679
where: short stacking energy: -65.361
Base-Backbone interact. energy: -0.136
local terms energy: -94.697565
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -16.557
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -141.848762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.848762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.848762 (E_RNA)
where:
Base-Base interactions energy: -62.731
where: short stacking energy: -50.337
Base-Backbone interact. energy: 1.821
local terms energy: -80.939291
where:
bonds (distance) C4'-P energy: -22.507
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -11.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -166.096811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.096811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.096811 (E_RNA)
where:
Base-Base interactions energy: -83.424
where: short stacking energy: -54.017
Base-Backbone interact. energy: -0.212
local terms energy: -82.460440
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -119.416973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.416973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.416973 (E_RNA)
where:
Base-Base interactions energy: -48.004
where: short stacking energy: -48.004
Base-Backbone interact. energy: -0.291
local terms energy: -71.121607
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -6.423
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -12.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -110.663707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.663707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.663707 (E_RNA)
where:
Base-Base interactions energy: -35.438
where: short stacking energy: -35.284
Base-Backbone interact. energy: -0.337
local terms energy: -74.888187
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -4.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -108.581045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.581045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.581045 (E_RNA)
where:
Base-Base interactions energy: -44.493
where: short stacking energy: -38.531
Base-Backbone interact. energy: -0.326
local terms energy: -63.761567
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -12.754
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: 10, replica: 5
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -110.596954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.596954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.596954 (E_RNA)
where:
Base-Base interactions energy: -43.741
where: short stacking energy: -43.489
Base-Backbone interact. energy: -0.255
local terms energy: -66.600732
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -4.391
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: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -267.629542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.629542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.629542 (E_RNA)
where:
Base-Base interactions energy: -155.050
where: short stacking energy: -94.046
Base-Backbone interact. energy: -0.002
local terms energy: -112.578323
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -30.076
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: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -231.417857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.417857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.417857 (E_RNA)
where:
Base-Base interactions energy: -131.735
where: short stacking energy: -81.472
Base-Backbone interact. energy: 0.461
local terms energy: -100.144261
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -22.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -233.352069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.352069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.352069 (E_RNA)
where:
Base-Base interactions energy: -140.190
where: short stacking energy: -93.693
Base-Backbone interact. energy: -0.009
local terms energy: -93.153141
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -16.406
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: 4, replica: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -161.961094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.961094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.961094 (E_RNA)
where:
Base-Base interactions energy: -73.398
where: short stacking energy: -43.829
Base-Backbone interact. energy: -0.143
local terms energy: -88.419872
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -20.894
flat angles C4'-P-C4' energy: -23.047
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -157.315069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.315069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.315069 (E_RNA)
where:
Base-Base interactions energy: -78.285
where: short stacking energy: -55.042
Base-Backbone interact. energy: -0.253
local terms energy: -78.777582
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -153.417142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.417142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.417142 (E_RNA)
where:
Base-Base interactions energy: -82.742
where: short stacking energy: -45.913
Base-Backbone interact. energy: -0.817
local terms energy: -69.857921
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -111.758598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.758598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.758598 (E_RNA)
where:
Base-Base interactions energy: -48.015
where: short stacking energy: -41.277
Base-Backbone interact. energy: -0.522
local terms energy: -63.221605
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: 1.984
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: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -108.507944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.507944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.507944 (E_RNA)
where:
Base-Base interactions energy: -45.599
where: short stacking energy: -28.498
Base-Backbone interact. energy: -0.148
local terms energy: -62.761114
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: 1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -100.410655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.410655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.410655 (E_RNA)
where:
Base-Base interactions energy: -29.665
where: short stacking energy: -25.411
Base-Backbone interact. energy: -0.393
local terms energy: -70.352133
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: 0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -94.808287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.808287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.808287 (E_RNA)
where:
Base-Base interactions energy: -29.736
where: short stacking energy: -26.800
Base-Backbone interact. energy: -0.041
local terms energy: -65.031155
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -269.916113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.916113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.916113 (E_RNA)
where:
Base-Base interactions energy: -163.367
where: short stacking energy: -91.119
Base-Backbone interact. energy: -0.053
local terms energy: -106.496061
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -17.437
tors. eta vs tors. theta energy: -28.171
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: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -247.725412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.725412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.725412 (E_RNA)
where:
Base-Base interactions energy: -142.872
where: short stacking energy: -97.429
Base-Backbone interact. energy: -0.021
local terms energy: -104.832349
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -17.241
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: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -202.358551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.358551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.358551 (E_RNA)
where:
Base-Base interactions energy: -115.236
where: short stacking energy: -80.757
Base-Backbone interact. energy: -0.049
local terms energy: -87.073289
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -18.178
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: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -149.642684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.642684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.642684 (E_RNA)
where:
Base-Base interactions energy: -68.699
where: short stacking energy: -61.609
Base-Backbone interact. energy: -0.082
local terms energy: -80.861305
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -9.010
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: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -154.057342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.057342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.057342 (E_RNA)
where:
Base-Base interactions energy: -70.005
where: short stacking energy: -51.432
Base-Backbone interact. energy: 2.074
local terms energy: -86.126141
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -13.632
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: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -125.828077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.828077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.828077 (E_RNA)
where:
Base-Base interactions energy: -44.546
where: short stacking energy: -44.546
Base-Backbone interact. energy: -0.314
local terms energy: -80.968038
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -113.080297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.080297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.080297 (E_RNA)
where:
Base-Base interactions energy: -44.773
where: short stacking energy: -36.960
Base-Backbone interact. energy: 0.935
local terms energy: -69.242524
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -114.116758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.116758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.116758 (E_RNA)
where:
Base-Base interactions energy: -37.776
where: short stacking energy: -38.376
Base-Backbone interact. energy: -0.181
local terms energy: -76.159192
where:
bonds (distance) C4'-P energy: -22.536
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -107.067328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.067328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.067328 (E_RNA)
where:
Base-Base interactions energy: -43.182
where: short stacking energy: -43.182
Base-Backbone interact. energy: 2.324
local terms energy: -66.210127
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -101.003606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.003606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.003606 (E_RNA)
where:
Base-Base interactions energy: -39.353
where: short stacking energy: -32.014
Base-Backbone interact. energy: 0.500
local terms energy: -62.150166
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -258.755750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.755750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.755750 (E_RNA)
where:
Base-Base interactions energy: -146.217
where: short stacking energy: -85.172
Base-Backbone interact. energy: -1.903
local terms energy: -110.636020
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -26.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -255.309617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.309617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.309617 (E_RNA)
where:
Base-Base interactions energy: -148.644
where: short stacking energy: -99.502
Base-Backbone interact. energy: -0.034
local terms energy: -106.631779
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -29.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -182.968554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.968554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.968554 (E_RNA)
where:
Base-Base interactions energy: -89.124
where: short stacking energy: -68.162
Base-Backbone interact. energy: -0.225
local terms energy: -93.619698
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -139.702022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.702022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.702022 (E_RNA)
where:
Base-Base interactions energy: -45.974
where: short stacking energy: -37.976
Base-Backbone interact. energy: -0.145
local terms energy: -93.582659
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -24.090
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -17.590
tors. eta vs tors. theta energy: -8.970
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: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -177.816606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.816606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.816606 (E_RNA)
where:
Base-Base interactions energy: -93.680
where: short stacking energy: -61.094
Base-Backbone interact. energy: -0.140
local terms energy: -83.996509
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -14.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -137.550777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.550777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.550777 (E_RNA)
where:
Base-Base interactions energy: -57.071
where: short stacking energy: -51.284
Base-Backbone interact. energy: -0.263
local terms energy: -80.216863
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -9.374
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: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -120.805100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.805100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.805100 (E_RNA)
where:
Base-Base interactions energy: -40.647
where: short stacking energy: -40.530
Base-Backbone interact. energy: -0.753
local terms energy: -79.404790
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -102.545218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.545218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.545218 (E_RNA)
where:
Base-Base interactions energy: -38.528
where: short stacking energy: -32.949
Base-Backbone interact. energy: -0.405
local terms energy: -63.611745
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -21.466
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -108.601177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.601177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.601177 (E_RNA)
where:
Base-Base interactions energy: -41.950
where: short stacking energy: -41.950
Base-Backbone interact. energy: -0.128
local terms energy: -66.523018
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -7.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -101.270653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.270653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.270653 (E_RNA)
where:
Base-Base interactions energy: -35.831
where: short stacking energy: -30.694
Base-Backbone interact. energy: -0.196
local terms energy: -65.243214
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -11.196
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: 251
Temperature: 0.900000
Total energy: -265.887905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.887905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.887905 (E_RNA)
where:
Base-Base interactions energy: -159.779
where: short stacking energy: -93.326
Base-Backbone interact. energy: -0.014
local terms energy: -106.094401
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -26.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -211.678046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.678046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.678046 (E_RNA)
where:
Base-Base interactions energy: -123.680
where: short stacking energy: -76.596
Base-Backbone interact. energy: -0.061
local terms energy: -87.936891
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -219.759101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.759101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.759101 (E_RNA)
where:
Base-Base interactions energy: -119.877
where: short stacking energy: -72.998
Base-Backbone interact. energy: -0.277
local terms energy: -99.605011
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -23.309
flat angles P-C4'-P energy: -12.279
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: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -185.839242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.839242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.839242 (E_RNA)
where:
Base-Base interactions energy: -93.793
where: short stacking energy: -42.298
Base-Backbone interact. energy: -0.019
local terms energy: -92.027419
where:
bonds (distance) C4'-P energy: -21.410
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -130.729865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.729865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.729865 (E_RNA)
where:
Base-Base interactions energy: -59.183
where: short stacking energy: -55.693
Base-Backbone interact. energy: 0.550
local terms energy: -72.096564
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -4.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -119.335200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.335200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.335200 (E_RNA)
where:
Base-Base interactions energy: -53.046
where: short stacking energy: -44.358
Base-Backbone interact. energy: 1.544
local terms energy: -67.832990
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -8.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -131.141103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.141103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.141103 (E_RNA)
where:
Base-Base interactions energy: -46.983
where: short stacking energy: -46.738
Base-Backbone interact. energy: -0.186
local terms energy: -83.972693
where:
bonds (distance) C4'-P energy: -24.159
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -114.616516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.616516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.616516 (E_RNA)
where:
Base-Base interactions energy: -36.800
where: short stacking energy: -35.605
Base-Backbone interact. energy: -0.441
local terms energy: -77.375419
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -12.760
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: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -98.839709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.839709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.839709 (E_RNA)
where:
Base-Base interactions energy: -40.334
where: short stacking energy: -24.008
Base-Backbone interact. energy: 0.675
local terms energy: -59.179828
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: 1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -94.328938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.328938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.328938 (E_RNA)
where:
Base-Base interactions energy: -29.154
where: short stacking energy: -29.154
Base-Backbone interact. energy: -0.592
local terms energy: -64.582496
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -263.447065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.447065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.447065 (E_RNA)
where:
Base-Base interactions energy: -158.950
where: short stacking energy: -93.052
Base-Backbone interact. energy: -0.029
local terms energy: -104.468090
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -23.299
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -27.017
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: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -229.847847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.847847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.847847 (E_RNA)
where:
Base-Base interactions energy: -136.802
where: short stacking energy: -80.180
Base-Backbone interact. energy: -0.278
local terms energy: -92.768066
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -21.671
flat angles C4'-P-C4' energy: -22.359
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -22.500
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: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -225.213645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.213645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.213645 (E_RNA)
where:
Base-Base interactions energy: -120.771
where: short stacking energy: -76.959
Base-Backbone interact. energy: -0.618
local terms energy: -103.825095
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -19.441
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -24.189
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: 4, replica: 9
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -197.728306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.728306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.728306 (E_RNA)
where:
Base-Base interactions energy: -109.189
where: short stacking energy: -62.203
Base-Backbone interact. energy: 0.296
local terms energy: -88.835338
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -15.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -158.194424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.194424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.194424 (E_RNA)
where:
Base-Base interactions energy: -73.257
where: short stacking energy: -54.627
Base-Backbone interact. energy: -0.377
local terms energy: -84.560680
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -9.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -111.093209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.093209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.093209 (E_RNA)
where:
Base-Base interactions energy: -36.369
where: short stacking energy: -36.369
Base-Backbone interact. energy: -0.251
local terms energy: -74.473899
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -4.604
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: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -111.861568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.861568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.861568 (E_RNA)
where:
Base-Base interactions energy: -36.372
where: short stacking energy: -33.831
Base-Backbone interact. energy: -2.015
local terms energy: -73.474293
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -2.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -122.816026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.816026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.816026 (E_RNA)
where:
Base-Base interactions energy: -39.727
where: short stacking energy: -39.727
Base-Backbone interact. energy: -0.157
local terms energy: -82.932751
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -9.446
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: 252
Temperature: 1.300000
Total energy: -104.888720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.888720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.888720 (E_RNA)
where:
Base-Base interactions energy: -32.001
where: short stacking energy: -28.705
Base-Backbone interact. energy: -0.185
local terms energy: -72.702855
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -2.961
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: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -103.874974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.874974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.874974 (E_RNA)
where:
Base-Base interactions energy: -45.262
where: short stacking energy: -39.441
Base-Backbone interact. energy: -0.155
local terms energy: -58.458653
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -266.548772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.548772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.548772 (E_RNA)
where:
Base-Base interactions energy: -156.090
where: short stacking energy: -94.208
Base-Backbone interact. energy: -0.041
local terms energy: -110.418026
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -25.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -242.954681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.954681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.954681 (E_RNA)
where:
Base-Base interactions energy: -133.928
where: short stacking energy: -86.928
Base-Backbone interact. energy: -0.088
local terms energy: -108.938369
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -24.939
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: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -229.330341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.330341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.330341 (E_RNA)
where:
Base-Base interactions energy: -128.890
where: short stacking energy: -76.388
Base-Backbone interact. energy: -0.364
local terms energy: -100.075991
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -24.983
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -22.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -189.121306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.121306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.121306 (E_RNA)
where:
Base-Base interactions energy: -111.580
where: short stacking energy: -54.784
Base-Backbone interact. energy: 2.929
local terms energy: -80.469711
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -144.083252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.083252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.083252 (E_RNA)
where:
Base-Base interactions energy: -61.088
where: short stacking energy: -58.442
Base-Backbone interact. energy: -0.099
local terms energy: -82.896750
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -12.100
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: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -135.895448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.895448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.895448 (E_RNA)
where:
Base-Base interactions energy: -51.096
where: short stacking energy: -51.096
Base-Backbone interact. energy: 1.502
local terms energy: -86.301570
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -22.591
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -11.054
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: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -113.584766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584766 (E_RNA)
where:
Base-Base interactions energy: -40.703
where: short stacking energy: -38.966
Base-Backbone interact. energy: -0.213
local terms energy: -72.669140
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -7.515
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: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -111.852581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.852581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.852581 (E_RNA)
where:
Base-Base interactions energy: -43.360
where: short stacking energy: -38.408
Base-Backbone interact. energy: 0.569
local terms energy: -69.062026
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -107.755451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.755451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.755451 (E_RNA)
where:
Base-Base interactions energy: -35.599
where: short stacking energy: -35.445
Base-Backbone interact. energy: 0.815
local terms energy: -72.971532
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -87.544447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.544447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.544447 (E_RNA)
where:
Base-Base interactions energy: -22.589
where: short stacking energy: -19.007
Base-Backbone interact. energy: -0.307
local terms energy: -64.648719
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: 3.653
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: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -274.030464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.030464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.030464 (E_RNA)
where:
Base-Base interactions energy: -168.786
where: short stacking energy: -93.889
Base-Backbone interact. energy: 0.163
local terms energy: -105.407023
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -23.115
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -28.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -255.593844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.593844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.593844 (E_RNA)
where:
Base-Base interactions energy: -146.325
where: short stacking energy: -101.013
Base-Backbone interact. energy: -0.071
local terms energy: -109.198029
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -30.503
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: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -244.681191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.681191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.681191 (E_RNA)
where:
Base-Base interactions energy: -144.124
where: short stacking energy: -97.019
Base-Backbone interact. energy: -0.192
local terms energy: -100.365924
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -27.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -209.148215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.148215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.148215 (E_RNA)
where:
Base-Base interactions energy: -108.614
where: short stacking energy: -75.579
Base-Backbone interact. energy: -0.133
local terms energy: -100.401213
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -21.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -125.309937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.309937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.309937 (E_RNA)
where:
Base-Base interactions energy: -53.065
where: short stacking energy: -39.054
Base-Backbone interact. energy: -0.073
local terms energy: -72.171821
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: 1.424
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: 6, replica: 5
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -112.714973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.714973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.714973 (E_RNA)
where:
Base-Base interactions energy: -42.041
where: short stacking energy: -38.009
Base-Backbone interact. energy: -0.389
local terms energy: -70.285599
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -24.083
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -115.373203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.373203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.373203 (E_RNA)
where:
Base-Base interactions energy: -39.029
where: short stacking energy: -39.029
Base-Backbone interact. energy: -0.131
local terms energy: -76.212869
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -10.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -104.283835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.283835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.283835 (E_RNA)
where:
Base-Base interactions energy: -38.745
where: short stacking energy: -35.733
Base-Backbone interact. energy: 3.169
local terms energy: -68.707228
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -12.575
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: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -104.422325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.422325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.422325 (E_RNA)
where:
Base-Base interactions energy: -34.675
where: short stacking energy: -34.675
Base-Backbone interact. energy: -0.136
local terms energy: -69.611289
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -6.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -96.155254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.155254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.155254 (E_RNA)
where:
Base-Base interactions energy: -22.906
where: short stacking energy: -22.072
Base-Backbone interact. energy: -0.278
local terms energy: -72.971240
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: 1.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -263.124189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.124189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.124189 (E_RNA)
where:
Base-Base interactions energy: -155.230
where: short stacking energy: -87.221
Base-Backbone interact. energy: -0.002
local terms energy: -107.891708
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -21.778
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -27.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -240.750975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.750975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.750975 (E_RNA)
where:
Base-Base interactions energy: -138.730
where: short stacking energy: -92.823
Base-Backbone interact. energy: 0.598
local terms energy: -102.619225
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -27.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -242.857954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.857954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.857954 (E_RNA)
where:
Base-Base interactions energy: -138.659
where: short stacking energy: -91.412
Base-Backbone interact. energy: -0.018
local terms energy: -104.181337
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -28.332
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: 9
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -215.751763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.751763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.751763 (E_RNA)
where:
Base-Base interactions energy: -123.923
where: short stacking energy: -67.941
Base-Backbone interact. energy: -0.094
local terms energy: -91.734835
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -124.907542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.907542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.907542 (E_RNA)
where:
Base-Base interactions energy: -43.628
where: short stacking energy: -41.305
Base-Backbone interact. energy: 0.671
local terms energy: -81.950602
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -17.294
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: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -126.073688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.073688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.073688 (E_RNA)
where:
Base-Base interactions energy: -45.337
where: short stacking energy: -45.337
Base-Backbone interact. energy: -0.190
local terms energy: -80.547055
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -12.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -123.830497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.830497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.830497 (E_RNA)
where:
Base-Base interactions energy: -61.305
where: short stacking energy: -55.151
Base-Backbone interact. energy: -0.185
local terms energy: -62.340018
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -129.629968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.629968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.629968 (E_RNA)
where:
Base-Base interactions energy: -54.143
where: short stacking energy: -38.412
Base-Backbone interact. energy: -0.259
local terms energy: -75.227935
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -6.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -107.676114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.676114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.676114 (E_RNA)
where:
Base-Base interactions energy: -48.067
where: short stacking energy: -48.067
Base-Backbone interact. energy: -0.105
local terms energy: -59.504089
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -10.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -92.826034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.826034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.826034 (E_RNA)
where:
Base-Base interactions energy: -34.272
where: short stacking energy: -28.939
Base-Backbone interact. energy: 0.445
local terms energy: -58.998688
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: 3.772
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: 8
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -269.168667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.168667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.168667 (E_RNA)
where:
Base-Base interactions energy: -153.954
where: short stacking energy: -106.341
Base-Backbone interact. energy: -0.040
local terms energy: -115.175131
where:
bonds (distance) C4'-P energy: -24.478
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -27.252
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -30.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -257.447994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.447994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.447994 (E_RNA)
where:
Base-Base interactions energy: -150.562
where: short stacking energy: -88.419
Base-Backbone interact. energy: -0.019
local terms energy: -106.866937
where:
bonds (distance) C4'-P energy: -21.717
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -11.984
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: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -230.584006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.584006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.584006 (E_RNA)
where:
Base-Base interactions energy: -141.321
where: short stacking energy: -85.589
Base-Backbone interact. energy: -0.106
local terms energy: -89.157402
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -20.290
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: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -228.552542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.552542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.552542 (E_RNA)
where:
Base-Base interactions energy: -126.920
where: short stacking energy: -73.269
Base-Backbone interact. energy: -0.488
local terms energy: -101.144843
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -16.532
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: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -141.363064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.363064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.363064 (E_RNA)
where:
Base-Base interactions energy: -65.655
where: short stacking energy: -47.930
Base-Backbone interact. energy: -0.422
local terms energy: -75.285863
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -9.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -132.292774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.292774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.292774 (E_RNA)
where:
Base-Base interactions energy: -54.875
where: short stacking energy: -55.575
Base-Backbone interact. energy: -1.216
local terms energy: -76.201870
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -10.118
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: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -120.974988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.974988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.974988 (E_RNA)
where:
Base-Base interactions energy: -43.617
where: short stacking energy: -34.249
Base-Backbone interact. energy: -0.292
local terms energy: -77.066060
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -127.434565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.434565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.434565 (E_RNA)
where:
Base-Base interactions energy: -54.851
where: short stacking energy: -34.929
Base-Backbone interact. energy: -0.333
local terms energy: -72.250573
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -106.695252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.695252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.695252 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -39.669
Base-Backbone interact. energy: -0.478
local terms energy: -66.548146
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -87.894319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.894319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.894319 (E_RNA)
where:
Base-Base interactions energy: -22.424
where: short stacking energy: -22.343
Base-Backbone interact. energy: -0.178
local terms energy: -65.292556
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: 4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -254.136237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.136237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.136237 (E_RNA)
where:
Base-Base interactions energy: -148.963
where: short stacking energy: -89.061
Base-Backbone interact. energy: -0.042
local terms energy: -105.131911
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -26.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -243.099846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.099846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.099846 (E_RNA)
where:
Base-Base interactions energy: -145.016
where: short stacking energy: -78.049
Base-Backbone interact. energy: -0.204
local terms energy: -97.880316
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -10.853
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: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -235.826437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.826437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.826437 (E_RNA)
where:
Base-Base interactions energy: -131.146
where: short stacking energy: -76.900
Base-Backbone interact. energy: 0.472
local terms energy: -105.152239
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -26.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -202.115200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.115200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.115200 (E_RNA)
where:
Base-Base interactions energy: -111.919
where: short stacking energy: -70.002
Base-Backbone interact. energy: -0.063
local terms energy: -90.132933
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -22.396
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -128.204446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.204446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.204446 (E_RNA)
where:
Base-Base interactions energy: -50.613
where: short stacking energy: -34.783
Base-Backbone interact. energy: -0.199
local terms energy: -77.392606
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -138.695223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.695223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.695223 (E_RNA)
where:
Base-Base interactions energy: -62.305
where: short stacking energy: -38.703
Base-Backbone interact. energy: -1.371
local terms energy: -75.019823
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -6.828
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: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -112.916256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.916256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.916256 (E_RNA)
where:
Base-Base interactions energy: -36.645
where: short stacking energy: -36.645
Base-Backbone interact. energy: -0.172
local terms energy: -76.099061
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -12.051
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: 8, replica: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -110.807975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.807975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.807975 (E_RNA)
where:
Base-Base interactions energy: -43.319
where: short stacking energy: -33.428
Base-Backbone interact. energy: -0.103
local terms energy: -67.385386
where:
bonds (distance) C4'-P energy: -23.940
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -0.107
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: 257
Temperature: 1.300000
Total energy: -117.479686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.479686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.479686 (E_RNA)
where:
Base-Base interactions energy: -60.615
where: short stacking energy: -38.561
Base-Backbone interact. energy: -0.378
local terms energy: -56.486352
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -99.802150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.802150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.802150 (E_RNA)
where:
Base-Base interactions energy: -30.733
where: short stacking energy: -28.754
Base-Backbone interact. energy: -0.406
local terms energy: -68.663490
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -249.597452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.597452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.597452 (E_RNA)
where:
Base-Base interactions energy: -147.254
where: short stacking energy: -95.189
Base-Backbone interact. energy: -0.012
local terms energy: -102.331947
where:
bonds (distance) C4'-P energy: -19.814
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -27.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -264.133022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.133022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.133022 (E_RNA)
where:
Base-Base interactions energy: -156.201
where: short stacking energy: -94.444
Base-Backbone interact. energy: -0.005
local terms energy: -107.926966
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -22.131
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -29.890
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: 258
Temperature: 1.000000
Total energy: -241.596560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.596560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.596560 (E_RNA)
where:
Base-Base interactions energy: -138.052
where: short stacking energy: -76.061
Base-Backbone interact. energy: 0.565
local terms energy: -104.109606
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -22.636
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -20.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -204.756155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.756155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.756155 (E_RNA)
where:
Base-Base interactions energy: -119.161
where: short stacking energy: -74.855
Base-Backbone interact. energy: -0.104
local terms energy: -85.491744
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -11.289
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: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -165.152521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.152521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.152521 (E_RNA)
where:
Base-Base interactions energy: -82.354
where: short stacking energy: -72.999
Base-Backbone interact. energy: -0.179
local terms energy: -82.619032
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -23.365
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -14.848
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: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -126.107967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.107967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.107967 (E_RNA)
where:
Base-Base interactions energy: -52.281
where: short stacking energy: -52.481
Base-Backbone interact. energy: 0.365
local terms energy: -74.192729
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -7.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -118.519633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.519633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.519633 (E_RNA)
where:
Base-Base interactions energy: -43.060
where: short stacking energy: -43.060
Base-Backbone interact. energy: -0.101
local terms energy: -75.358795
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -11.437
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: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -98.089372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.089372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.089372 (E_RNA)
where:
Base-Base interactions energy: -26.162
where: short stacking energy: -26.162
Base-Backbone interact. energy: 1.075
local terms energy: -73.002430
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -6.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -99.669791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.669791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.669791 (E_RNA)
where:
Base-Base interactions energy: -38.134
where: short stacking energy: -30.041
Base-Backbone interact. energy: -0.149
local terms energy: -61.386316
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -96.054386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.054386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.054386 (E_RNA)
where:
Base-Base interactions energy: -28.243
where: short stacking energy: -28.243
Base-Backbone interact. energy: -0.181
local terms energy: -67.630185
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -7.838
flat angles P-C4'-P energy: -12.291
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: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -251.669691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.669691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.669691 (E_RNA)
where:
Base-Base interactions energy: -143.127
where: short stacking energy: -94.389
Base-Backbone interact. energy: -0.044
local terms energy: -108.499100
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -24.658
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -26.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -264.424624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.424624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.424624 (E_RNA)
where:
Base-Base interactions energy: -149.916
where: short stacking energy: -94.803
Base-Backbone interact. energy: -0.010
local terms energy: -114.497693
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -23.458
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -32.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -259.112178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.112178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.112178 (E_RNA)
where:
Base-Base interactions energy: -154.839
where: short stacking energy: -91.669
Base-Backbone interact. energy: -0.059
local terms energy: -104.214113
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -24.197
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: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -218.482320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.482320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.482320 (E_RNA)
where:
Base-Base interactions energy: -118.137
where: short stacking energy: -68.081
Base-Backbone interact. energy: -0.083
local terms energy: -100.262614
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -22.562
flat angles P-C4'-P energy: -17.947
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: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -162.121104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.121104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.121104 (E_RNA)
where:
Base-Base interactions energy: -74.968
where: short stacking energy: -63.857
Base-Backbone interact. energy: 1.174
local terms energy: -88.327420
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -18.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -128.512290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.512290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.512290 (E_RNA)
where:
Base-Base interactions energy: -54.781
where: short stacking energy: -47.320
Base-Backbone interact. energy: 1.434
local terms energy: -75.165267
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -8.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -130.368927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.368927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.368927 (E_RNA)
where:
Base-Base interactions energy: -56.154
where: short stacking energy: -36.021
Base-Backbone interact. energy: -0.192
local terms energy: -74.022942
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -9.920
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: 8, replica: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -116.290836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.290836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.290836 (E_RNA)
where:
Base-Base interactions energy: -33.403
where: short stacking energy: -32.545
Base-Backbone interact. energy: -0.079
local terms energy: -82.809033
where:
bonds (distance) C4'-P energy: -23.724
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -8.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -122.915639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.915639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.915639 (E_RNA)
where:
Base-Base interactions energy: -47.728
where: short stacking energy: -47.728
Base-Backbone interact. energy: -0.004
local terms energy: -75.183896
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -12.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -106.933811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.933811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.933811 (E_RNA)
where:
Base-Base interactions energy: -39.406
where: short stacking energy: -34.435
Base-Backbone interact. energy: -0.006
local terms energy: -67.522625
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: 0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -265.229089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.229089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.229089 (E_RNA)
where:
Base-Base interactions energy: -157.583
where: short stacking energy: -100.393
Base-Backbone interact. energy: -0.049
local terms energy: -107.596986
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -24.980
flat angles P-C4'-P energy: -15.954
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: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -254.406068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.406068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.406068 (E_RNA)
where:
Base-Base interactions energy: -146.678
where: short stacking energy: -97.621
Base-Backbone interact. energy: -0.026
local terms energy: -107.701271
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -24.643
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -28.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -225.785944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.785944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.785944 (E_RNA)
where:
Base-Base interactions energy: -120.101
where: short stacking energy: -77.164
Base-Backbone interact. energy: -0.016
local terms energy: -105.668363
where:
bonds (distance) C4'-P energy: -22.966
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -20.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -244.622769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.622769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.622769 (E_RNA)
where:
Base-Base interactions energy: -148.639
where: short stacking energy: -78.501
Base-Backbone interact. energy: 0.574
local terms energy: -96.558111
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -25.713
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -25.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -154.967703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.967703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.967703 (E_RNA)
where:
Base-Base interactions energy: -69.583
where: short stacking energy: -52.997
Base-Backbone interact. energy: -0.383
local terms energy: -85.002005
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -21.155
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -11.111
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: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -149.511799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.511799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.511799 (E_RNA)
where:
Base-Base interactions energy: -61.456
where: short stacking energy: -51.451
Base-Backbone interact. energy: -0.169
local terms energy: -87.886760
where:
bonds (distance) C4'-P energy: -23.641
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -129.725240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.725240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.725240 (E_RNA)
where:
Base-Base interactions energy: -62.410
where: short stacking energy: -37.062
Base-Backbone interact. energy: 0.134
local terms energy: -67.449875
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -104.199569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.199569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.199569 (E_RNA)
where:
Base-Base interactions energy: -37.260
where: short stacking energy: -31.632
Base-Backbone interact. energy: -0.205
local terms energy: -66.734739
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -115.136108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.136108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.136108 (E_RNA)
where:
Base-Base interactions energy: -46.167
where: short stacking energy: -45.315
Base-Backbone interact. energy: -0.527
local terms energy: -68.441591
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -102.582612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.582612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.582612 (E_RNA)
where:
Base-Base interactions energy: -34.219
where: short stacking energy: -34.219
Base-Backbone interact. energy: -0.196
local terms energy: -68.168080
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -14.299
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: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -258.949399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.949399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.949399 (E_RNA)
where:
Base-Base interactions energy: -155.282
where: short stacking energy: -87.133
Base-Backbone interact. energy: -0.215
local terms energy: -103.452035
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -12.329
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: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -243.542890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.542890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.542890 (E_RNA)
where:
Base-Base interactions energy: -142.242
where: short stacking energy: -89.353
Base-Backbone interact. energy: -0.103
local terms energy: -101.197503
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -20.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -205.805389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.805389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.805389 (E_RNA)
where:
Base-Base interactions energy: -118.183
where: short stacking energy: -77.069
Base-Backbone interact. energy: -0.231
local terms energy: -87.390670
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -226.767168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.767168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.767168 (E_RNA)
where:
Base-Base interactions energy: -140.704
where: short stacking energy: -80.945
Base-Backbone interact. energy: -0.157
local terms energy: -85.905687
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -17.846
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: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -130.878126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.878126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.878126 (E_RNA)
where:
Base-Base interactions energy: -49.256
where: short stacking energy: -49.256
Base-Backbone interact. energy: -1.453
local terms energy: -80.169413
where:
bonds (distance) C4'-P energy: -22.213
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -130.963430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.963430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.963430 (E_RNA)
where:
Base-Base interactions energy: -53.702
where: short stacking energy: -44.112
Base-Backbone interact. energy: -0.157
local terms energy: -77.104146
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -9.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -121.358238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.358238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.358238 (E_RNA)
where:
Base-Base interactions energy: -54.351
where: short stacking energy: -41.694
Base-Backbone interact. energy: -0.399
local terms energy: -66.607925
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -111.072820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.072820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.072820 (E_RNA)
where:
Base-Base interactions energy: -40.775
where: short stacking energy: -33.294
Base-Backbone interact. energy: 0.177
local terms energy: -70.474938
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -109.655119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.655119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.655119 (E_RNA)
where:
Base-Base interactions energy: -49.013
where: short stacking energy: -31.704
Base-Backbone interact. energy: 0.998
local terms energy: -61.639309
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: 0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -101.513137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.513137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.513137 (E_RNA)
where:
Base-Base interactions energy: -34.812
where: short stacking energy: -34.812
Base-Backbone interact. energy: -0.055
local terms energy: -66.646161
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -2.911
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -272.931916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.931916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.931916 (E_RNA)
where:
Base-Base interactions energy: -168.130
where: short stacking energy: -107.729
Base-Backbone interact. energy: -0.037
local terms energy: -104.765334
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -28.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -228.732692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.732692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.732692 (E_RNA)
where:
Base-Base interactions energy: -136.462
where: short stacking energy: -87.205
Base-Backbone interact. energy: -1.113
local terms energy: -91.157630
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -21.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -225.056245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.056245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.056245 (E_RNA)
where:
Base-Base interactions energy: -123.258
where: short stacking energy: -69.030
Base-Backbone interact. energy: -0.223
local terms energy: -101.575340
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -204.871852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.871852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.871852 (E_RNA)
where:
Base-Base interactions energy: -111.864
where: short stacking energy: -63.717
Base-Backbone interact. energy: 1.830
local terms energy: -94.837910
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -148.367457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.367457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.367457 (E_RNA)
where:
Base-Base interactions energy: -64.372
where: short stacking energy: -49.335
Base-Backbone interact. energy: -0.259
local terms energy: -83.736654
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -7.938
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: 6, replica: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -112.969248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.969248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.969248 (E_RNA)
where:
Base-Base interactions energy: -36.059
where: short stacking energy: -34.608
Base-Backbone interact. energy: -0.256
local terms energy: -76.653449
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -117.783629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.783629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.783629 (E_RNA)
where:
Base-Base interactions energy: -40.674
where: short stacking energy: -40.674
Base-Backbone interact. energy: -0.094
local terms energy: -77.015667
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -10.884
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: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -113.986757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.986757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.986757 (E_RNA)
where:
Base-Base interactions energy: -41.413
where: short stacking energy: -35.848
Base-Backbone interact. energy: 2.045
local terms energy: -74.619142
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -97.648831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.648831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.648831 (E_RNA)
where:
Base-Base interactions energy: -37.912
where: short stacking energy: -37.464
Base-Backbone interact. energy: -0.213
local terms energy: -59.523664
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -90.674592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.674592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.674592 (E_RNA)
where:
Base-Base interactions energy: -26.870
where: short stacking energy: -24.483
Base-Backbone interact. energy: -0.597
local terms energy: -63.207043
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -23.777
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -0.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -264.875784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.875784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.875784 (E_RNA)
where:
Base-Base interactions energy: -156.842
where: short stacking energy: -99.229
Base-Backbone interact. energy: -0.238
local terms energy: -107.795919
where:
bonds (distance) C4'-P energy: -21.644
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -21.165
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -26.454
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: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -246.364365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.364365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.364365 (E_RNA)
where:
Base-Base interactions energy: -149.848
where: short stacking energy: -88.848
Base-Backbone interact. energy: -0.029
local terms energy: -96.487052
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -24.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -227.957296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.957296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.957296 (E_RNA)
where:
Base-Base interactions energy: -131.537
where: short stacking energy: -84.492
Base-Backbone interact. energy: -0.204
local terms energy: -96.217014
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -23.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -208.209326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.209326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.209326 (E_RNA)
where:
Base-Base interactions energy: -116.568
where: short stacking energy: -81.585
Base-Backbone interact. energy: -0.117
local terms energy: -91.524736
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -23.289
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -21.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -146.243913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.243913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.243913 (E_RNA)
where:
Base-Base interactions energy: -60.690
where: short stacking energy: -40.392
Base-Backbone interact. energy: -0.205
local terms energy: -85.348611
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -11.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -123.896488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.896488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.896488 (E_RNA)
where:
Base-Base interactions energy: -46.326
where: short stacking energy: -38.325
Base-Backbone interact. energy: -0.322
local terms energy: -77.248638
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -121.646657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.646657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.646657 (E_RNA)
where:
Base-Base interactions energy: -38.107
where: short stacking energy: -36.183
Base-Backbone interact. energy: 0.069
local terms energy: -83.609058
where:
bonds (distance) C4'-P energy: -23.030
bonds (distance) P-C4' energy: -22.675
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -107.754094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.754094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.754094 (E_RNA)
where:
Base-Base interactions energy: -37.756
where: short stacking energy: -34.908
Base-Backbone interact. energy: -0.633
local terms energy: -69.365004
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: 0.858
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: 9, replica: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -109.609085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.609085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.609085 (E_RNA)
where:
Base-Base interactions energy: -40.179
where: short stacking energy: -39.745
Base-Backbone interact. energy: -0.141
local terms energy: -69.289667
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -96.741155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.741155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.741155 (E_RNA)
where:
Base-Base interactions energy: -32.957
where: short stacking energy: -31.481
Base-Backbone interact. energy: -0.267
local terms energy: -63.516411
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -262.495043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.495043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.495043 (E_RNA)
where:
Base-Base interactions energy: -149.783
where: short stacking energy: -90.160
Base-Backbone interact. energy: -2.553
local terms energy: -110.158667
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -19.922
tors. eta vs tors. theta energy: -28.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -258.056893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.056893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.056893 (E_RNA)
where:
Base-Base interactions energy: -153.077
where: short stacking energy: -88.070
Base-Backbone interact. energy: -0.445
local terms energy: -104.535411
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -25.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -221.637759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.637759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.637759 (E_RNA)
where:
Base-Base interactions energy: -126.713
where: short stacking energy: -69.977
Base-Backbone interact. energy: -0.247
local terms energy: -94.677945
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -20.091
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -219.995009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.995009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.995009 (E_RNA)
where:
Base-Base interactions energy: -123.483
where: short stacking energy: -85.948
Base-Backbone interact. energy: -0.191
local terms energy: -96.321751
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -22.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -130.395221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.395221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.395221 (E_RNA)
where:
Base-Base interactions energy: -52.539
where: short stacking energy: -46.198
Base-Backbone interact. energy: -0.213
local terms energy: -77.643138
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -24.271
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -4.578
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: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -152.254718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.254718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.254718 (E_RNA)
where:
Base-Base interactions energy: -77.964
where: short stacking energy: -48.572
Base-Backbone interact. energy: -0.194
local terms energy: -74.095985
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -7.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -114.819731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.819731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.819731 (E_RNA)
where:
Base-Base interactions energy: -46.129
where: short stacking energy: -34.411
Base-Backbone interact. energy: -0.035
local terms energy: -68.655910
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -124.891482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.891482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.891482 (E_RNA)
where:
Base-Base interactions energy: -45.885
where: short stacking energy: -37.133
Base-Backbone interact. energy: -0.083
local terms energy: -78.923320
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -21.624
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -98.260456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.260456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.260456 (E_RNA)
where:
Base-Base interactions energy: -37.012
where: short stacking energy: -36.294
Base-Backbone interact. energy: -0.038
local terms energy: -61.209948
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -106.510470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.510470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.510470 (E_RNA)
where:
Base-Base interactions energy: -40.454
where: short stacking energy: -35.604
Base-Backbone interact. energy: 0.031
local terms energy: -66.087348
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -9.053
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: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -242.581804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.581804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.581804 (E_RNA)
where:
Base-Base interactions energy: -142.919
where: short stacking energy: -85.640
Base-Backbone interact. energy: 0.121
local terms energy: -99.783806
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -23.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -254.050556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.050556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.050556 (E_RNA)
where:
Base-Base interactions energy: -138.124
where: short stacking energy: -91.449
Base-Backbone interact. energy: -0.149
local terms energy: -115.778025
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -18.538
tors. eta vs tors. theta energy: -29.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -217.562317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.562317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.562317 (E_RNA)
where:
Base-Base interactions energy: -121.838
where: short stacking energy: -72.045
Base-Backbone interact. energy: -0.105
local terms energy: -95.619989
where:
bonds (distance) C4'-P energy: -22.984
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -12.192
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: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -213.613577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.613577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.613577 (E_RNA)
where:
Base-Base interactions energy: -113.912
where: short stacking energy: -71.588
Base-Backbone interact. energy: -0.271
local terms energy: -99.430736
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -17.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -158.187911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.187911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.187911 (E_RNA)
where:
Base-Base interactions energy: -62.770
where: short stacking energy: -51.444
Base-Backbone interact. energy: -0.018
local terms energy: -95.399833
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -131.199039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.199039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.199039 (E_RNA)
where:
Base-Base interactions energy: -53.127
where: short stacking energy: -53.127
Base-Backbone interact. energy: -0.298
local terms energy: -77.774501
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -118.887163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.887163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.887163 (E_RNA)
where:
Base-Base interactions energy: -47.200
where: short stacking energy: -40.553
Base-Backbone interact. energy: -0.732
local terms energy: -70.954922
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -4.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -103.663367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.663367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.663367 (E_RNA)
where:
Base-Base interactions energy: -46.531
where: short stacking energy: -45.185
Base-Backbone interact. energy: 1.361
local terms energy: -58.493603
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -6.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -110.812494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.812494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.812494 (E_RNA)
where:
Base-Base interactions energy: -42.608
where: short stacking energy: -42.608
Base-Backbone interact. energy: -0.037
local terms energy: -68.167927
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -92.077810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.077810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.077810 (E_RNA)
where:
Base-Base interactions energy: -27.670
where: short stacking energy: -27.241
Base-Backbone interact. energy: 1.517
local terms energy: -65.924736
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -1.420
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: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -251.712789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.712789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.712789 (E_RNA)
where:
Base-Base interactions energy: -150.157
where: short stacking energy: -97.568
Base-Backbone interact. energy: -0.056
local terms energy: -101.500124
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -26.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -254.077477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.077477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.077477 (E_RNA)
where:
Base-Base interactions energy: -151.473
where: short stacking energy: -90.937
Base-Backbone interact. energy: -0.197
local terms energy: -102.407467
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -25.131
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: 3, replica: 8
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -226.090984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.090984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.090984 (E_RNA)
where:
Base-Base interactions energy: -129.858
where: short stacking energy: -75.631
Base-Backbone interact. energy: -0.042
local terms energy: -96.191339
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -213.523246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.523246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.523246 (E_RNA)
where:
Base-Base interactions energy: -122.072
where: short stacking energy: -63.431
Base-Backbone interact. energy: -0.862
local terms energy: -90.589013
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -21.235
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: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -130.840553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.840553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.840553 (E_RNA)
where:
Base-Base interactions energy: -44.537
where: short stacking energy: -40.303
Base-Backbone interact. energy: -0.045
local terms energy: -86.258278
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -120.224495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.224495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.224495 (E_RNA)
where:
Base-Base interactions energy: -49.900
where: short stacking energy: -42.219
Base-Backbone interact. energy: 0.196
local terms energy: -70.520825
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -126.971351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.971351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.971351 (E_RNA)
where:
Base-Base interactions energy: -49.780
where: short stacking energy: -43.821
Base-Backbone interact. energy: -0.570
local terms energy: -76.620864
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -113.585657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.585657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.585657 (E_RNA)
where:
Base-Base interactions energy: -43.992
where: short stacking energy: -43.992
Base-Backbone interact. energy: -0.285
local terms energy: -69.308724
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -97.379160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.379160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.379160 (E_RNA)
where:
Base-Base interactions energy: -32.521
where: short stacking energy: -21.437
Base-Backbone interact. energy: -0.320
local terms energy: -64.538255
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -95.633065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.633065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.633065 (E_RNA)
where:
Base-Base interactions energy: -28.039
where: short stacking energy: -25.067
Base-Backbone interact. energy: 0.237
local terms energy: -67.831795
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -22.541
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: 0.277
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: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -255.502690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.502690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.502690 (E_RNA)
where:
Base-Base interactions energy: -147.729
where: short stacking energy: -89.483
Base-Backbone interact. energy: -0.130
local terms energy: -107.644349
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -17.635
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: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -235.540160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.540160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.540160 (E_RNA)
where:
Base-Base interactions energy: -131.079
where: short stacking energy: -85.698
Base-Backbone interact. energy: -0.015
local terms energy: -104.446687
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -21.717
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -26.731
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: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -239.547870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.547870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.547870 (E_RNA)
where:
Base-Base interactions energy: -140.487
where: short stacking energy: -81.907
Base-Backbone interact. energy: -0.004
local terms energy: -99.057110
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -12.448
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: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -189.423740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.423740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.423740 (E_RNA)
where:
Base-Base interactions energy: -95.531
where: short stacking energy: -68.195
Base-Backbone interact. energy: -0.126
local terms energy: -93.766806
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -20.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -125.655658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.655658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.655658 (E_RNA)
where:
Base-Base interactions energy: -44.513
where: short stacking energy: -44.513
Base-Backbone interact. energy: 0.499
local terms energy: -81.641117
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -124.096673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.096673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.096673 (E_RNA)
where:
Base-Base interactions energy: -45.037
where: short stacking energy: -45.037
Base-Backbone interact. energy: -0.322
local terms energy: -78.737232
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -129.332898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.332898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.332898 (E_RNA)
where:
Base-Base interactions energy: -58.423
where: short stacking energy: -58.423
Base-Backbone interact. energy: -0.030
local terms energy: -70.879500
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -138.113672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.113672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.113672 (E_RNA)
where:
Base-Base interactions energy: -63.103
where: short stacking energy: -36.282
Base-Backbone interact. energy: 1.262
local terms energy: -76.272447
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -7.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -118.223659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.223659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.223659 (E_RNA)
where:
Base-Base interactions energy: -56.831
where: short stacking energy: -30.815
Base-Backbone interact. energy: -0.413
local terms energy: -60.979853
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -93.330623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.330623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.330623 (E_RNA)
where:
Base-Base interactions energy: -25.706
where: short stacking energy: -25.869
Base-Backbone interact. energy: -0.312
local terms energy: -67.312408
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: 5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -270.761994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.761994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.761994 (E_RNA)
where:
Base-Base interactions energy: -161.832
where: short stacking energy: -103.863
Base-Backbone interact. energy: -0.048
local terms energy: -108.882150
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -21.695
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -28.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -247.381628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.381628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.381628 (E_RNA)
where:
Base-Base interactions energy: -150.315
where: short stacking energy: -87.286
Base-Backbone interact. energy: -0.111
local terms energy: -96.955688
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -27.666
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: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -251.640202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.640202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.640202 (E_RNA)
where:
Base-Base interactions energy: -150.351
where: short stacking energy: -93.681
Base-Backbone interact. energy: -0.120
local terms energy: -101.169048
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -25.736
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -26.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -168.952455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.952455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.952455 (E_RNA)
where:
Base-Base interactions energy: -88.657
where: short stacking energy: -69.531
Base-Backbone interact. energy: -0.373
local terms energy: -79.922271
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -149.985414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.985414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.985414 (E_RNA)
where:
Base-Base interactions energy: -64.702
where: short stacking energy: -40.546
Base-Backbone interact. energy: 0.345
local terms energy: -85.628969
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -21.161
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -118.555834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.555834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.555834 (E_RNA)
where:
Base-Base interactions energy: -40.997
where: short stacking energy: -40.936
Base-Backbone interact. energy: -1.010
local terms energy: -76.548605
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -116.223820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.223820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.223820 (E_RNA)
where:
Base-Base interactions energy: -35.431
where: short stacking energy: -35.431
Base-Backbone interact. energy: 0.556
local terms energy: -81.348729
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -101.099927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.099927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.099927 (E_RNA)
where:
Base-Base interactions energy: -39.501
where: short stacking energy: -35.219
Base-Backbone interact. energy: -0.146
local terms energy: -61.452660
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: 0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -109.626549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.626549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.626549 (E_RNA)
where:
Base-Base interactions energy: -45.425
where: short stacking energy: -39.643
Base-Backbone interact. energy: -0.077
local terms energy: -64.124362
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -1.794
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: 10, replica: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -106.240622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.240622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.240622 (E_RNA)
where:
Base-Base interactions energy: -45.711
where: short stacking energy: -41.242
Base-Backbone interact. energy: -0.891
local terms energy: -59.637986
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -6.057
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: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -258.038967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.038967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.038967 (E_RNA)
where:
Base-Base interactions energy: -154.603
where: short stacking energy: -101.868
Base-Backbone interact. energy: -0.012
local terms energy: -103.424729
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -24.615
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -28.519
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: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -252.821904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.821904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.821904 (E_RNA)
where:
Base-Base interactions energy: -149.781
where: short stacking energy: -85.996
Base-Backbone interact. energy: -0.027
local terms energy: -103.013855
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -22.072
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -24.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -237.494678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.494678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.494678 (E_RNA)
where:
Base-Base interactions energy: -132.702
where: short stacking energy: -82.492
Base-Backbone interact. energy: -1.261
local terms energy: -103.531965
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -14.346
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: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -152.289404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.289404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.289404 (E_RNA)
where:
Base-Base interactions energy: -67.548
where: short stacking energy: -54.068
Base-Backbone interact. energy: -0.330
local terms energy: -84.411516
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -9.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -130.266740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.266740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.266740 (E_RNA)
where:
Base-Base interactions energy: -52.572
where: short stacking energy: -46.519
Base-Backbone interact. energy: 0.467
local terms energy: -78.161543
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -126.722455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.722455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.722455 (E_RNA)
where:
Base-Base interactions energy: -55.760
where: short stacking energy: -55.760
Base-Backbone interact. energy: -0.094
local terms energy: -70.868129
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -125.600080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.600080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.600080 (E_RNA)
where:
Base-Base interactions energy: -50.888
where: short stacking energy: -50.888
Base-Backbone interact. energy: 0.404
local terms energy: -75.116010
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -11.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -115.838047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.838047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.838047 (E_RNA)
where:
Base-Base interactions energy: -45.351
where: short stacking energy: -44.477
Base-Backbone interact. energy: -0.088
local terms energy: -70.399328
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -6.620
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: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -102.347770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.347770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.347770 (E_RNA)
where:
Base-Base interactions energy: -30.944
where: short stacking energy: -28.622
Base-Backbone interact. energy: -0.412
local terms energy: -70.992556
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -92.305819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.305819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.305819 (E_RNA)
where:
Base-Base interactions energy: -27.240
where: short stacking energy: -24.037
Base-Backbone interact. energy: -0.736
local terms energy: -64.329925
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: 1.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -266.426745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.426745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.426745 (E_RNA)
where:
Base-Base interactions energy: -152.414
where: short stacking energy: -88.791
Base-Backbone interact. energy: -0.206
local terms energy: -113.806529
where:
bonds (distance) C4'-P energy: -21.865
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -19.060
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: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -256.333998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.333998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.333998 (E_RNA)
where:
Base-Base interactions energy: -150.091
where: short stacking energy: -101.375
Base-Backbone interact. energy: -0.003
local terms energy: -106.240845
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -24.734
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -31.321
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: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -219.711748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.711748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.711748 (E_RNA)
where:
Base-Base interactions energy: -116.377
where: short stacking energy: -77.891
Base-Backbone interact. energy: 0.778
local terms energy: -104.112431
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -25.310
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -17.618
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: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -165.763902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.763902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.763902 (E_RNA)
where:
Base-Base interactions energy: -90.781
where: short stacking energy: -53.465
Base-Backbone interact. energy: -0.053
local terms energy: -74.929534
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -121.962815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.962815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.962815 (E_RNA)
where:
Base-Base interactions energy: -41.237
where: short stacking energy: -40.659
Base-Backbone interact. energy: 0.182
local terms energy: -80.908023
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -21.878
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -136.212368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.212368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.212368 (E_RNA)
where:
Base-Base interactions energy: -53.046
where: short stacking energy: -43.715
Base-Backbone interact. energy: -0.122
local terms energy: -83.044470
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -23.283
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -137.133833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.133833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.133833 (E_RNA)
where:
Base-Base interactions energy: -51.233
where: short stacking energy: -37.813
Base-Backbone interact. energy: -0.091
local terms energy: -85.810377
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -101.132961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.132961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.132961 (E_RNA)
where:
Base-Base interactions energy: -49.198
where: short stacking energy: -47.798
Base-Backbone interact. energy: -0.212
local terms energy: -51.722979
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: 0.953
tors. eta vs tors. theta energy: -7.037
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: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -96.059472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.059472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.059472 (E_RNA)
where:
Base-Base interactions energy: -30.725
where: short stacking energy: -30.825
Base-Backbone interact. energy: 0.529
local terms energy: -65.862787
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -2.817
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -103.095079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.095079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.095079 (E_RNA)
where:
Base-Base interactions energy: -39.012
where: short stacking energy: -29.922
Base-Backbone interact. energy: 0.111
local terms energy: -64.193883
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -265.559426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.559426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.559426 (E_RNA)
where:
Base-Base interactions energy: -156.172
where: short stacking energy: -88.592
Base-Backbone interact. energy: -0.617
local terms energy: -108.770836
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -29.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -269.313236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.313236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.313236 (E_RNA)
where:
Base-Base interactions energy: -153.395
where: short stacking energy: -99.661
Base-Backbone interact. energy: -0.478
local terms energy: -115.439557
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -32.888
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: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -231.726102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.726102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.726102 (E_RNA)
where:
Base-Base interactions energy: -129.910
where: short stacking energy: -85.431
Base-Backbone interact. energy: 0.937
local terms energy: -102.753750
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -25.480
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -23.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -146.619124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.619124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.619124 (E_RNA)
where:
Base-Base interactions energy: -59.948
where: short stacking energy: -54.559
Base-Backbone interact. energy: -0.456
local terms energy: -86.216010
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -10.552
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: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -134.663323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.663323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.663323 (E_RNA)
where:
Base-Base interactions energy: -56.166
where: short stacking energy: -52.280
Base-Backbone interact. energy: -0.006
local terms energy: -78.490904
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -6.194
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: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -129.844347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.844347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.844347 (E_RNA)
where:
Base-Base interactions energy: -54.951
where: short stacking energy: -46.232
Base-Backbone interact. energy: -0.245
local terms energy: -74.648087
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -12.287
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: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -119.622724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.622724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.622724 (E_RNA)
where:
Base-Base interactions energy: -43.751
where: short stacking energy: -43.751
Base-Backbone interact. energy: -0.127
local terms energy: -75.744698
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -9.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -123.370632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.370632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.370632 (E_RNA)
where:
Base-Base interactions energy: -47.544
where: short stacking energy: -47.166
Base-Backbone interact. energy: -0.159
local terms energy: -75.667334
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -23.121
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -109.847240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.847240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.847240 (E_RNA)
where:
Base-Base interactions energy: -45.673
where: short stacking energy: -26.292
Base-Backbone interact. energy: 0.306
local terms energy: -64.480436
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -6.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -95.414053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.414053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.414053 (E_RNA)
where:
Base-Base interactions energy: -25.525
where: short stacking energy: -25.525
Base-Backbone interact. energy: -0.197
local terms energy: -69.692517
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -262.410653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.410653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.410653 (E_RNA)
where:
Base-Base interactions energy: -156.848
where: short stacking energy: -91.630
Base-Backbone interact. energy: 0.615
local terms energy: -106.177691
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -30.524
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: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -253.074053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.074053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.074053 (E_RNA)
where:
Base-Base interactions energy: -144.275
where: short stacking energy: -95.837
Base-Backbone interact. energy: -0.052
local terms energy: -108.747139
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -15.725
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: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -213.082357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.082357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.082357 (E_RNA)
where:
Base-Base interactions energy: -125.234
where: short stacking energy: -71.124
Base-Backbone interact. energy: -0.026
local terms energy: -87.822296
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -12.599
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: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -139.083226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.083226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.083226 (E_RNA)
where:
Base-Base interactions energy: -65.712
where: short stacking energy: -49.722
Base-Backbone interact. energy: -0.982
local terms energy: -72.388598
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -137.472019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.472019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.472019 (E_RNA)
where:
Base-Base interactions energy: -51.526
where: short stacking energy: -51.524
Base-Backbone interact. energy: -0.172
local terms energy: -85.774631
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -24.787
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -141.588470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.588470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.588470 (E_RNA)
where:
Base-Base interactions energy: -50.214
where: short stacking energy: -50.214
Base-Backbone interact. energy: -0.073
local terms energy: -91.300692
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -115.681467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.681467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.681467 (E_RNA)
where:
Base-Base interactions energy: -42.402
where: short stacking energy: -26.714
Base-Backbone interact. energy: 0.688
local terms energy: -73.967238
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -109.740954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.740954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.740954 (E_RNA)
where:
Base-Base interactions energy: -32.697
where: short stacking energy: -29.768
Base-Backbone interact. energy: -0.600
local terms energy: -76.443787
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -23.394
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: 1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -99.560591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.560591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.560591 (E_RNA)
where:
Base-Base interactions energy: -28.896
where: short stacking energy: -28.659
Base-Backbone interact. energy: 0.805
local terms energy: -71.469144
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: 3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -97.823948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.823948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.823948 (E_RNA)
where:
Base-Base interactions energy: -21.532
where: short stacking energy: -20.275
Base-Backbone interact. energy: -0.225
local terms energy: -76.067089
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -260.909973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.909973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.909973 (E_RNA)
where:
Base-Base interactions energy: -147.799
where: short stacking energy: -96.021
Base-Backbone interact. energy: -0.118
local terms energy: -112.992675
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -25.974
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -18.520
tors. eta vs tors. theta energy: -27.324
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: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -252.263512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.263512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.263512 (E_RNA)
where:
Base-Base interactions energy: -140.678
where: short stacking energy: -91.726
Base-Backbone interact. energy: -0.036
local terms energy: -111.549870
where:
bonds (distance) C4'-P energy: -22.212
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -22.643
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -28.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -225.466937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.466937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.466937 (E_RNA)
where:
Base-Base interactions energy: -123.838
where: short stacking energy: -82.239
Base-Backbone interact. energy: -0.090
local terms energy: -101.538943
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -27.100
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -25.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -154.385328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.385328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.385328 (E_RNA)
where:
Base-Base interactions energy: -59.123
where: short stacking energy: -59.123
Base-Backbone interact. energy: -0.353
local terms energy: -94.909551
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -12.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -140.441137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.441137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.441137 (E_RNA)
where:
Base-Base interactions energy: -60.248
where: short stacking energy: -55.983
Base-Backbone interact. energy: -0.121
local terms energy: -80.072676
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -10.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -135.359850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.359850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.359850 (E_RNA)
where:
Base-Base interactions energy: -58.909
where: short stacking energy: -51.609
Base-Backbone interact. energy: -0.387
local terms energy: -76.064539
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -13.747
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: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -131.193017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.193017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.193017 (E_RNA)
where:
Base-Base interactions energy: -50.981
where: short stacking energy: -46.864
Base-Backbone interact. energy: 0.456
local terms energy: -80.668807
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -10.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -107.234918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.234918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.234918 (E_RNA)
where:
Base-Base interactions energy: -24.504
where: short stacking energy: -24.504
Base-Backbone interact. energy: 0.231
local terms energy: -82.961314
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -11.821
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: 9, replica: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -97.077069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.077069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.077069 (E_RNA)
where:
Base-Base interactions energy: -39.873
where: short stacking energy: -32.617
Base-Backbone interact. energy: 0.163
local terms energy: -57.367296
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -10.889
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: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -98.112766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.112766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.112766 (E_RNA)
where:
Base-Base interactions energy: -36.231
where: short stacking energy: -36.231
Base-Backbone interact. energy: 0.116
local terms energy: -61.996884
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -258.222249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.222249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.222249 (E_RNA)
where:
Base-Base interactions energy: -154.901
where: short stacking energy: -99.468
Base-Backbone interact. energy: 0.389
local terms energy: -103.709958
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -11.853
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: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -241.875077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.875077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.875077 (E_RNA)
where:
Base-Base interactions energy: -136.114
where: short stacking energy: -88.248
Base-Backbone interact. energy: -0.700
local terms energy: -105.060574
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -26.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -226.138641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.138641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.138641 (E_RNA)
where:
Base-Base interactions energy: -136.866
where: short stacking energy: -86.190
Base-Backbone interact. energy: -0.163
local terms energy: -89.109967
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -25.204
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: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -158.426971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.426971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.426971 (E_RNA)
where:
Base-Base interactions energy: -82.995
where: short stacking energy: -64.771
Base-Backbone interact. energy: 0.176
local terms energy: -75.608369
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -10.818
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: 5, replica: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -145.409539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.409539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.409539 (E_RNA)
where:
Base-Base interactions energy: -63.695
where: short stacking energy: -48.605
Base-Backbone interact. energy: -0.354
local terms energy: -81.359679
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -24.805
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -7.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -164.490391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.490391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.490391 (E_RNA)
where:
Base-Base interactions energy: -91.013
where: short stacking energy: -59.382
Base-Backbone interact. energy: -0.060
local terms energy: -73.416939
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -15.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -123.140673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.140673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.140673 (E_RNA)
where:
Base-Base interactions energy: -45.328
where: short stacking energy: -43.142
Base-Backbone interact. energy: -0.757
local terms energy: -77.056515
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: -8.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -122.641936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.641936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.641936 (E_RNA)
where:
Base-Base interactions energy: -49.199
where: short stacking energy: -49.155
Base-Backbone interact. energy: -0.148
local terms energy: -73.294224
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -10.485
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: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -106.305821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.305821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.305821 (E_RNA)
where:
Base-Base interactions energy: -41.475
where: short stacking energy: -29.972
Base-Backbone interact. energy: -0.064
local terms energy: -64.766501
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -101.171227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.171227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.171227 (E_RNA)
where:
Base-Base interactions energy: -32.022
where: short stacking energy: -32.022
Base-Backbone interact. energy: -0.201
local terms energy: -68.947567
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -6.277
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: 275
Temperature: 0.900000
Total energy: -262.628647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.628647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.628647 (E_RNA)
where:
Base-Base interactions energy: -157.610
where: short stacking energy: -92.717
Base-Backbone interact. energy: -0.388
local terms energy: -104.630039
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -23.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -232.026219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.026219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.026219 (E_RNA)
where:
Base-Base interactions energy: -127.903
where: short stacking energy: -76.277
Base-Backbone interact. energy: -0.169
local terms energy: -103.954636
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -23.529
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: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -233.431214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.431214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.431214 (E_RNA)
where:
Base-Base interactions energy: -137.200
where: short stacking energy: -80.993
Base-Backbone interact. energy: -0.397
local terms energy: -95.833402
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -24.694
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: 275
Temperature: 1.050000
Total energy: -190.563152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.563152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.563152 (E_RNA)
where:
Base-Base interactions energy: -104.188
where: short stacking energy: -59.638
Base-Backbone interact. energy: -0.608
local terms energy: -85.767612
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -156.000381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.000381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.000381 (E_RNA)
where:
Base-Base interactions energy: -75.070
where: short stacking energy: -69.151
Base-Backbone interact. energy: 0.722
local terms energy: -81.651690
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -168.468710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.468710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.468710 (E_RNA)
where:
Base-Base interactions energy: -79.731
where: short stacking energy: -48.413
Base-Backbone interact. energy: 0.973
local terms energy: -89.710799
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -115.068364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.068364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.068364 (E_RNA)
where:
Base-Base interactions energy: -35.994
where: short stacking energy: -35.425
Base-Backbone interact. energy: -0.470
local terms energy: -78.604814
where:
bonds (distance) C4'-P energy: -21.149
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -128.792475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.792475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.792475 (E_RNA)
where:
Base-Base interactions energy: -48.680
where: short stacking energy: -48.680
Base-Backbone interact. energy: -0.424
local terms energy: -79.688483
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -20.251
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -110.886731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.886731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.886731 (E_RNA)
where:
Base-Base interactions energy: -45.435
where: short stacking energy: -40.642
Base-Backbone interact. energy: 0.887
local terms energy: -66.338428
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -6.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -97.323039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.323039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.323039 (E_RNA)
where:
Base-Base interactions energy: -26.240
where: short stacking energy: -22.956
Base-Backbone interact. energy: -0.113
local terms energy: -70.970598
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: 0.244
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: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -275.837241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.837241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.837241 (E_RNA)
where:
Base-Base interactions energy: -161.654
where: short stacking energy: -96.850
Base-Backbone interact. energy: -0.077
local terms energy: -114.106803
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -23.829
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -29.021
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: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -237.342935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.342935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.342935 (E_RNA)
where:
Base-Base interactions energy: -135.813
where: short stacking energy: -86.755
Base-Backbone interact. energy: -0.012
local terms energy: -101.518000
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -26.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -230.040309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.040309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.040309 (E_RNA)
where:
Base-Base interactions energy: -130.720
where: short stacking energy: -76.417
Base-Backbone interact. energy: -0.050
local terms energy: -99.270337
where:
bonds (distance) C4'-P energy: -19.588
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -21.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -163.778466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.778466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.778466 (E_RNA)
where:
Base-Base interactions energy: -84.918
where: short stacking energy: -51.147
Base-Backbone interact. energy: -0.310
local terms energy: -78.549854
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -9.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -149.639295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.639295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.639295 (E_RNA)
where:
Base-Base interactions energy: -71.278
where: short stacking energy: -52.234
Base-Backbone interact. energy: -0.017
local terms energy: -78.345136
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -19.214
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -11.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -166.663783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.663783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.663783 (E_RNA)
where:
Base-Base interactions energy: -88.778
where: short stacking energy: -51.773
Base-Backbone interact. energy: -0.223
local terms energy: -77.662866
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -128.137494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.137494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.137494 (E_RNA)
where:
Base-Base interactions energy: -42.673
where: short stacking energy: -41.646
Base-Backbone interact. energy: -0.150
local terms energy: -85.314176
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -9.934
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: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -107.818861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.818861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.818861 (E_RNA)
where:
Base-Base interactions energy: -38.114
where: short stacking energy: -34.643
Base-Backbone interact. energy: -0.024
local terms energy: -69.680317
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -101.589756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.589756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.589756 (E_RNA)
where:
Base-Base interactions energy: -30.558
where: short stacking energy: -30.558
Base-Backbone interact. energy: -0.212
local terms energy: -70.819226
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -101.514199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.514199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.514199 (E_RNA)
where:
Base-Base interactions energy: -34.133
where: short stacking energy: -29.654
Base-Backbone interact. energy: 0.178
local terms energy: -67.559432
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: 0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -267.349158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.349158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.349158 (E_RNA)
where:
Base-Base interactions energy: -150.684
where: short stacking energy: -87.289
Base-Backbone interact. energy: -0.102
local terms energy: -116.562715
where:
bonds (distance) C4'-P energy: -24.500
bonds (distance) P-C4' energy: -23.625
flat angles C4'-P-C4' energy: -23.891
flat angles P-C4'-P energy: -19.498
tors. eta vs tors. theta energy: -25.049
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: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -250.557807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.557807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.557807 (E_RNA)
where:
Base-Base interactions energy: -143.352
where: short stacking energy: -96.625
Base-Backbone interact. energy: -0.059
local terms energy: -107.146694
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -31.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -221.018306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.018306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.018306 (E_RNA)
where:
Base-Base interactions energy: -126.098
where: short stacking energy: -84.129
Base-Backbone interact. energy: -0.229
local terms energy: -94.690894
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -21.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -180.423736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.423736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.423736 (E_RNA)
where:
Base-Base interactions energy: -88.660
where: short stacking energy: -56.057
Base-Backbone interact. energy: -0.611
local terms energy: -91.153403
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -10.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -133.370527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.370527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.370527 (E_RNA)
where:
Base-Base interactions energy: -47.980
where: short stacking energy: -47.037
Base-Backbone interact. energy: -0.275
local terms energy: -85.115322
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -24.735
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -160.185240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.185240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.185240 (E_RNA)
where:
Base-Base interactions energy: -75.364
where: short stacking energy: -64.220
Base-Backbone interact. energy: -0.281
local terms energy: -84.539773
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -133.451914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.451914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.451914 (E_RNA)
where:
Base-Base interactions energy: -61.607
where: short stacking energy: -42.472
Base-Backbone interact. energy: -0.184
local terms energy: -71.660272
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -8.381
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: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -110.606894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.606894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.606894 (E_RNA)
where:
Base-Base interactions energy: -49.173
where: short stacking energy: -45.409
Base-Backbone interact. energy: -0.254
local terms energy: -61.179764
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: 1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -116.064046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.064046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.064046 (E_RNA)
where:
Base-Base interactions energy: -44.199
where: short stacking energy: -37.659
Base-Backbone interact. energy: -0.200
local terms energy: -71.665340
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -99.794969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.794969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.794969 (E_RNA)
where:
Base-Base interactions energy: -34.567
where: short stacking energy: -28.889
Base-Backbone interact. energy: -0.222
local terms energy: -65.006416
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -9.209
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: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -272.275049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.275049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.275049 (E_RNA)
where:
Base-Base interactions energy: -160.196
where: short stacking energy: -92.315
Base-Backbone interact. energy: -0.008
local terms energy: -112.071366
where:
bonds (distance) C4'-P energy: -22.425
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -31.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -235.235358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.235358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.235358 (E_RNA)
where:
Base-Base interactions energy: -139.837
where: short stacking energy: -83.235
Base-Backbone interact. energy: -0.150
local terms energy: -95.248555
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -25.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -219.965875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.965875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.965875 (E_RNA)
where:
Base-Base interactions energy: -128.329
where: short stacking energy: -74.987
Base-Backbone interact. energy: -0.245
local terms energy: -91.392050
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -10.503
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: 4, replica: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -193.629589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.629589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.629589 (E_RNA)
where:
Base-Base interactions energy: -94.470
where: short stacking energy: -65.935
Base-Backbone interact. energy: -0.337
local terms energy: -98.822489
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -131.842797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.842797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.842797 (E_RNA)
where:
Base-Base interactions energy: -57.496
where: short stacking energy: -43.086
Base-Backbone interact. energy: -0.399
local terms energy: -73.947779
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -130.589971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.589971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.589971 (E_RNA)
where:
Base-Base interactions energy: -43.490
where: short stacking energy: -44.090
Base-Backbone interact. energy: -0.195
local terms energy: -86.904570
where:
bonds (distance) C4'-P energy: -23.600
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -11.394
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: 3
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -135.759770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.759770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.759770 (E_RNA)
where:
Base-Base interactions energy: -57.042
where: short stacking energy: -57.042
Base-Backbone interact. energy: -0.297
local terms energy: -78.420353
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -11.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -118.409956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.409956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.409956 (E_RNA)
where:
Base-Base interactions energy: -38.539
where: short stacking energy: -37.988
Base-Backbone interact. energy: -0.376
local terms energy: -79.495205
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -7.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -115.138484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.138484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.138484 (E_RNA)
where:
Base-Base interactions energy: -42.982
where: short stacking energy: -42.982
Base-Backbone interact. energy: -0.172
local terms energy: -71.983569
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -101.685896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.685896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.685896 (E_RNA)
where:
Base-Base interactions energy: -32.424
where: short stacking energy: -31.311
Base-Backbone interact. energy: -0.203
local terms energy: -69.059567
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -257.075066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.075066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.075066 (E_RNA)
where:
Base-Base interactions energy: -154.878
where: short stacking energy: -97.401
Base-Backbone interact. energy: -0.107
local terms energy: -102.089603
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -26.054
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: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -235.807645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.807645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.807645 (E_RNA)
where:
Base-Base interactions energy: -130.545
where: short stacking energy: -78.428
Base-Backbone interact. energy: -0.608
local terms energy: -104.654902
where:
bonds (distance) C4'-P energy: -22.693
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -20.876
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: 3, replica: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -247.901169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.901169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.901169 (E_RNA)
where:
Base-Base interactions energy: -140.944
where: short stacking energy: -81.997
Base-Backbone interact. energy: -0.161
local terms energy: -106.796100
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -20.663
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -30.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -188.381388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.381388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.381388 (E_RNA)
where:
Base-Base interactions energy: -94.159
where: short stacking energy: -56.277
Base-Backbone interact. energy: -0.024
local terms energy: -94.198314
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -133.587027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.587027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.587027 (E_RNA)
where:
Base-Base interactions energy: -51.489
where: short stacking energy: -49.344
Base-Backbone interact. energy: -0.242
local terms energy: -81.855576
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -10.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -124.258524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.258524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.258524 (E_RNA)
where:
Base-Base interactions energy: -46.252
where: short stacking energy: -40.535
Base-Backbone interact. energy: -0.348
local terms energy: -77.658486
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -130.144923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.144923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.144923 (E_RNA)
where:
Base-Base interactions energy: -53.326
where: short stacking energy: -39.999
Base-Backbone interact. energy: -0.475
local terms energy: -76.344424
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -105.919096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.919096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.919096 (E_RNA)
where:
Base-Base interactions energy: -41.909
where: short stacking energy: -28.450
Base-Backbone interact. energy: 2.231
local terms energy: -66.240464
where:
bonds (distance) C4'-P energy: -21.591
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -2.973
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: 279
Temperature: 1.300000
Total energy: -116.209378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.209378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.209378 (E_RNA)
where:
Base-Base interactions energy: -40.332
where: short stacking energy: -34.573
Base-Backbone interact. energy: -0.050
local terms energy: -75.828219
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -9.463
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: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -89.218185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.218185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.218185 (E_RNA)
where:
Base-Base interactions energy: -29.378
where: short stacking energy: -27.317
Base-Backbone interact. energy: -0.433
local terms energy: -59.407239
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -250.767857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.767857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.767857 (E_RNA)
where:
Base-Base interactions energy: -143.885
where: short stacking energy: -96.909
Base-Backbone interact. energy: -0.130
local terms energy: -106.752990
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -28.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -253.032206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.032206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.032206 (E_RNA)
where:
Base-Base interactions energy: -141.727
where: short stacking energy: -86.440
Base-Backbone interact. energy: 1.304
local terms energy: -112.609226
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -27.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -204.662994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.662994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.662994 (E_RNA)
where:
Base-Base interactions energy: -114.858
where: short stacking energy: -61.109
Base-Backbone interact. energy: -0.136
local terms energy: -89.668812
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -18.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -209.058498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.058498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.058498 (E_RNA)
where:
Base-Base interactions energy: -116.739
where: short stacking energy: -78.715
Base-Backbone interact. energy: -0.130
local terms energy: -92.190120
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -22.282
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -21.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -134.607296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.607296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.607296 (E_RNA)
where:
Base-Base interactions energy: -59.874
where: short stacking energy: -43.728
Base-Backbone interact. energy: -0.243
local terms energy: -74.490094
where:
bonds (distance) C4'-P energy: -21.859
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -151.903343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.903343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.903343 (E_RNA)
where:
Base-Base interactions energy: -75.734
where: short stacking energy: -41.668
Base-Backbone interact. energy: -0.264
local terms energy: -75.905748
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -125.465311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.465311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.465311 (E_RNA)
where:
Base-Base interactions energy: -46.031
where: short stacking energy: -46.605
Base-Backbone interact. energy: -0.267
local terms energy: -79.167450
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -9.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -108.199595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.199595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.199595 (E_RNA)
where:
Base-Base interactions energy: -36.865
where: short stacking energy: -32.391
Base-Backbone interact. energy: -0.052
local terms energy: -71.283016
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -6.285
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: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -108.448679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.448679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.448679 (E_RNA)
where:
Base-Base interactions energy: -37.849
where: short stacking energy: -37.849
Base-Backbone interact. energy: -0.087
local terms energy: -70.512665
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -107.218938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.218938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.218938 (E_RNA)
where:
Base-Base interactions energy: -38.487
where: short stacking energy: -38.349
Base-Backbone interact. energy: -0.336
local terms energy: -68.396080
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -255.063374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.063374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.063374 (E_RNA)
where:
Base-Base interactions energy: -152.517
where: short stacking energy: -93.002
Base-Backbone interact. energy: -0.378
local terms energy: -102.169228
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -26.121
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -261.505084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.505084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.505084 (E_RNA)
where:
Base-Base interactions energy: -155.032
where: short stacking energy: -91.902
Base-Backbone interact. energy: -0.032
local terms energy: -106.441066
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: -26.063
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: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -219.192190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.192190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.192190 (E_RNA)
where:
Base-Base interactions energy: -119.266
where: short stacking energy: -80.080
Base-Backbone interact. energy: -0.216
local terms energy: -99.709757
where:
bonds (distance) C4'-P energy: -25.617
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -22.940
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: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -146.935942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.935942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.935942 (E_RNA)
where:
Base-Base interactions energy: -71.583
where: short stacking energy: -59.489
Base-Backbone interact. energy: 0.266
local terms energy: -75.618572
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -211.859017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.859017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.859017 (E_RNA)
where:
Base-Base interactions energy: -113.559
where: short stacking energy: -69.277
Base-Backbone interact. energy: -0.152
local terms energy: -98.148064
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -162.009174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.009174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.009174 (E_RNA)
where:
Base-Base interactions energy: -82.146
where: short stacking energy: -44.381
Base-Backbone interact. energy: -0.820
local terms energy: -79.043399
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -124.204363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.204363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.204363 (E_RNA)
where:
Base-Base interactions energy: -46.875
where: short stacking energy: -46.875
Base-Backbone interact. energy: 0.548
local terms energy: -77.877584
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -106.744036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.744036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.744036 (E_RNA)
where:
Base-Base interactions energy: -37.390
where: short stacking energy: -36.808
Base-Backbone interact. energy: -0.232
local terms energy: -69.121846
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -8.378
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: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -105.889923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.889923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.889923 (E_RNA)
where:
Base-Base interactions energy: -30.638
where: short stacking energy: -27.710
Base-Backbone interact. energy: -1.890
local terms energy: -73.361345
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -16.124
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: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -102.581185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.581185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.581185 (E_RNA)
where:
Base-Base interactions energy: -40.742
where: short stacking energy: -36.157
Base-Backbone interact. energy: -0.149
local terms energy: -61.690909
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -2.116
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: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -257.313760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.313760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.313760 (E_RNA)
where:
Base-Base interactions energy: -156.441
where: short stacking energy: -91.093
Base-Backbone interact. energy: -0.247
local terms energy: -100.625612
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -29.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -252.394067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.394067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.394067 (E_RNA)
where:
Base-Base interactions energy: -150.005
where: short stacking energy: -99.233
Base-Backbone interact. energy: -0.250
local terms energy: -102.139235
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -28.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -228.141664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.141664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.141664 (E_RNA)
where:
Base-Base interactions energy: -126.695
where: short stacking energy: -87.938
Base-Backbone interact. energy: -0.626
local terms energy: -100.820609
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -30.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -135.489309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.489309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.489309 (E_RNA)
where:
Base-Base interactions energy: -53.373
where: short stacking energy: -53.373
Base-Backbone interact. energy: -0.441
local terms energy: -81.675622
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -12.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -183.149665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.149665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.149665 (E_RNA)
where:
Base-Base interactions energy: -106.100
where: short stacking energy: -51.911
Base-Backbone interact. energy: -0.738
local terms energy: -76.311346
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -13.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -203.244763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.244763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.244763 (E_RNA)
where:
Base-Base interactions energy: -116.908
where: short stacking energy: -75.839
Base-Backbone interact. energy: -0.076
local terms energy: -86.260864
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -21.222
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -112.069961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.069961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.069961 (E_RNA)
where:
Base-Base interactions energy: -45.198
where: short stacking energy: -45.198
Base-Backbone interact. energy: -0.268
local terms energy: -66.604013
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -6.951
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: 282
Temperature: 1.250000
Total energy: -115.812957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.812957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.812957 (E_RNA)
where:
Base-Base interactions energy: -45.531
where: short stacking energy: -45.531
Base-Backbone interact. energy: 2.027
local terms energy: -72.308650
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -7.315
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: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -98.503047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.503047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.503047 (E_RNA)
where:
Base-Base interactions energy: -37.431
where: short stacking energy: -37.431
Base-Backbone interact. energy: -0.172
local terms energy: -60.899416
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: 0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -99.340287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.340287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.340287 (E_RNA)
where:
Base-Base interactions energy: -38.257
where: short stacking energy: -38.257
Base-Backbone interact. energy: 1.004
local terms energy: -62.087842
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -6.282
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -265.786120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.786120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.786120 (E_RNA)
where:
Base-Base interactions energy: -156.786
where: short stacking energy: -92.761
Base-Backbone interact. energy: -0.088
local terms energy: -108.912630
where:
bonds (distance) C4'-P energy: -20.695
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -22.952
flat angles P-C4'-P energy: -13.246
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: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -252.352029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.352029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.352029 (E_RNA)
where:
Base-Base interactions energy: -157.835
where: short stacking energy: -106.731
Base-Backbone interact. energy: -0.095
local terms energy: -94.422225
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -26.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -198.939203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.939203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.939203 (E_RNA)
where:
Base-Base interactions energy: -109.672
where: short stacking energy: -66.458
Base-Backbone interact. energy: -0.087
local terms energy: -89.181185
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -14.836
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: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -208.697835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.697835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.697835 (E_RNA)
where:
Base-Base interactions energy: -117.972
where: short stacking energy: -83.440
Base-Backbone interact. energy: -0.024
local terms energy: -90.701517
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -5.782
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: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -124.211903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.211903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.211903 (E_RNA)
where:
Base-Base interactions energy: -48.003
where: short stacking energy: -47.749
Base-Backbone interact. energy: -0.244
local terms energy: -75.965299
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -201.773200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.773200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.773200 (E_RNA)
where:
Base-Base interactions energy: -109.966
where: short stacking energy: -70.526
Base-Backbone interact. energy: -0.215
local terms energy: -91.592545
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -22.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -122.601754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.601754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.601754 (E_RNA)
where:
Base-Base interactions energy: -49.930
where: short stacking energy: -37.358
Base-Backbone interact. energy: -0.807
local terms energy: -71.865356
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -20.149
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -131.996445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.996445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.996445 (E_RNA)
where:
Base-Base interactions energy: -49.897
where: short stacking energy: -37.226
Base-Backbone interact. energy: 0.929
local terms energy: -83.028503
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -11.431
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: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -98.962419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.962419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.962419 (E_RNA)
where:
Base-Base interactions energy: -31.038
where: short stacking energy: -31.038
Base-Backbone interact. energy: -0.027
local terms energy: -67.896929
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -22.534
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -0.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -99.038990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.038990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.038990 (E_RNA)
where:
Base-Base interactions energy: -34.534
where: short stacking energy: -33.239
Base-Backbone interact. energy: -0.413
local terms energy: -64.092332
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: 0.449
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: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -264.721697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.721697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.721697 (E_RNA)
where:
Base-Base interactions energy: -156.063
where: short stacking energy: -97.503
Base-Backbone interact. energy: -0.066
local terms energy: -108.593570
where:
bonds (distance) C4'-P energy: -22.628
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -13.740
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: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -254.906563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.906563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.906563 (E_RNA)
where:
Base-Base interactions energy: -150.583
where: short stacking energy: -102.555
Base-Backbone interact. energy: -0.395
local terms energy: -103.929146
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -24.515
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -24.259
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: 10
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -219.141848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.141848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.141848 (E_RNA)
where:
Base-Base interactions energy: -116.572
where: short stacking energy: -74.768
Base-Backbone interact. energy: -0.153
local terms energy: -102.416168
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -22.137
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: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -194.515874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.515874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.515874 (E_RNA)
where:
Base-Base interactions energy: -107.034
where: short stacking energy: -64.572
Base-Backbone interact. energy: -0.112
local terms energy: -87.369631
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -12.224
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: 284
Temperature: 1.100000
Total energy: -194.153438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.153438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.153438 (E_RNA)
where:
Base-Base interactions energy: -100.010
where: short stacking energy: -54.160
Base-Backbone interact. energy: -0.096
local terms energy: -94.047133
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -23.516
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -14.785
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: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -128.540160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.540160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.540160 (E_RNA)
where:
Base-Base interactions energy: -53.883
where: short stacking energy: -48.286
Base-Backbone interact. energy: -0.268
local terms energy: -74.389170
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -15.327
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: 7, replica: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -138.632627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.632627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.632627 (E_RNA)
where:
Base-Base interactions energy: -58.005
where: short stacking energy: -46.391
Base-Backbone interact. energy: -0.378
local terms energy: -80.249914
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -12.895
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: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -105.948349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.948349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.948349 (E_RNA)
where:
Base-Base interactions energy: -38.070
where: short stacking energy: -34.705
Base-Backbone interact. energy: -0.192
local terms energy: -67.686013
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -8.280
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: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -101.367314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.367314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.367314 (E_RNA)
where:
Base-Base interactions energy: -36.249
where: short stacking energy: -27.517
Base-Backbone interact. energy: 2.352
local terms energy: -67.470275
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -23.597
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -110.256101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.256101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.256101 (E_RNA)
where:
Base-Base interactions energy: -38.597
where: short stacking energy: -37.590
Base-Backbone interact. energy: 1.442
local terms energy: -73.101203
where:
bonds (distance) C4'-P energy: -23.091
bonds (distance) P-C4' energy: -23.839
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -4.525
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: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -260.375330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.375330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.375330 (E_RNA)
where:
Base-Base interactions energy: -149.205
where: short stacking energy: -94.579
Base-Backbone interact. energy: 0.285
local terms energy: -111.455589
where:
bonds (distance) C4'-P energy: -22.525
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -26.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -258.202904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.202904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.202904 (E_RNA)
where:
Base-Base interactions energy: -149.283
where: short stacking energy: -94.601
Base-Backbone interact. energy: -0.070
local terms energy: -108.849711
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -15.710
tors. eta vs tors. theta energy: -25.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -233.926376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.926376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.926376 (E_RNA)
where:
Base-Base interactions energy: -132.741
where: short stacking energy: -93.281
Base-Backbone interact. energy: -1.320
local terms energy: -99.865062
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -27.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -192.081506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.081506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.081506 (E_RNA)
where:
Base-Base interactions energy: -106.551
where: short stacking energy: -68.682
Base-Backbone interact. energy: 0.017
local terms energy: -85.547795
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -201.757601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.757601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.757601 (E_RNA)
where:
Base-Base interactions energy: -113.626
where: short stacking energy: -69.759
Base-Backbone interact. energy: -0.115
local terms energy: -88.016877
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -15.043
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: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -125.267987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.267987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.267987 (E_RNA)
where:
Base-Base interactions energy: -49.355
where: short stacking energy: -40.154
Base-Backbone interact. energy: -0.256
local terms energy: -75.657294
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -9.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -116.382313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.382313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.382313 (E_RNA)
where:
Base-Base interactions energy: -50.643
where: short stacking energy: -46.946
Base-Backbone interact. energy: -0.772
local terms energy: -64.966837
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -7.121
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: 8, replica: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -111.713457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.713457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.713457 (E_RNA)
where:
Base-Base interactions energy: -44.755
where: short stacking energy: -30.345
Base-Backbone interact. energy: -0.376
local terms energy: -66.581778
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -22.019
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -3.563
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: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -104.129289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.129289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.129289 (E_RNA)
where:
Base-Base interactions energy: -35.405
where: short stacking energy: -33.979
Base-Backbone interact. energy: -1.742
local terms energy: -66.982520
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -10.654
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: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -111.661327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.661327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.661327 (E_RNA)
where:
Base-Base interactions energy: -40.993
where: short stacking energy: -40.964
Base-Backbone interact. energy: -0.446
local terms energy: -70.223123
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -11.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -268.704517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.704517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.704517 (E_RNA)
where:
Base-Base interactions energy: -152.102
where: short stacking energy: -98.189
Base-Backbone interact. energy: -0.020
local terms energy: -116.582859
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -32.705
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: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -258.321345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.321345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.321345 (E_RNA)
where:
Base-Base interactions energy: -147.286
where: short stacking energy: -89.132
Base-Backbone interact. energy: -0.030
local terms energy: -111.004838
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -26.880
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: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -204.409905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.409905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.409905 (E_RNA)
where:
Base-Base interactions energy: -106.576
where: short stacking energy: -79.596
Base-Backbone interact. energy: 1.923
local terms energy: -99.756812
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -24.253
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: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -193.328815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.328815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.328815 (E_RNA)
where:
Base-Base interactions energy: -106.152
where: short stacking energy: -66.361
Base-Backbone interact. energy: 0.193
local terms energy: -87.369789
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -8.909
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: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -211.862036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.862036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.862036 (E_RNA)
where:
Base-Base interactions energy: -124.727
where: short stacking energy: -79.864
Base-Backbone interact. energy: -0.013
local terms energy: -87.121950
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -23.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -124.725685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.725685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.725685 (E_RNA)
where:
Base-Base interactions energy: -49.899
where: short stacking energy: -36.940
Base-Backbone interact. energy: 0.667
local terms energy: -75.493091
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -121.540694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.540694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.540694 (E_RNA)
where:
Base-Base interactions energy: -47.020
where: short stacking energy: -42.528
Base-Backbone interact. energy: -0.319
local terms energy: -74.202322
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -6.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -121.363286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.363286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.363286 (E_RNA)
where:
Base-Base interactions energy: -56.746
where: short stacking energy: -38.044
Base-Backbone interact. energy: 0.583
local terms energy: -65.200175
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -6.782
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: 286
Temperature: 1.300000
Total energy: -102.053710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.053710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.053710 (E_RNA)
where:
Base-Base interactions energy: -28.952
where: short stacking energy: -27.645
Base-Backbone interact. energy: 1.334
local terms energy: -74.434992
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -92.676128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.676128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.676128 (E_RNA)
where:
Base-Base interactions energy: -30.208
where: short stacking energy: -30.208
Base-Backbone interact. energy: -0.181
local terms energy: -62.286863
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -274.884568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.884568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.884568 (E_RNA)
where:
Base-Base interactions energy: -159.838
where: short stacking energy: -105.326
Base-Backbone interact. energy: -0.013
local terms energy: -115.032723
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -30.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -250.532240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.532240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.532240 (E_RNA)
where:
Base-Base interactions energy: -150.342
where: short stacking energy: -88.476
Base-Backbone interact. energy: -0.113
local terms energy: -100.077389
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -23.516
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -23.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -172.552254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.552254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.552254 (E_RNA)
where:
Base-Base interactions energy: -85.861
where: short stacking energy: -59.979
Base-Backbone interact. energy: -0.054
local terms energy: -86.636921
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -190.961884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.961884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.961884 (E_RNA)
where:
Base-Base interactions energy: -97.489
where: short stacking energy: -58.126
Base-Backbone interact. energy: -0.015
local terms energy: -93.458685
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -24.450
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -177.584638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.584638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.584638 (E_RNA)
where:
Base-Base interactions energy: -97.000
where: short stacking energy: -56.017
Base-Backbone interact. energy: -0.897
local terms energy: -79.687076
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -116.378189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.378189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.378189 (E_RNA)
where:
Base-Base interactions energy: -36.356
where: short stacking energy: -33.046
Base-Backbone interact. energy: 0.282
local terms energy: -80.304189
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -123.134735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.134735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.134735 (E_RNA)
where:
Base-Base interactions energy: -42.322
where: short stacking energy: -34.800
Base-Backbone interact. energy: -0.239
local terms energy: -80.573708
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -8.082
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: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -132.774877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.774877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.774877 (E_RNA)
where:
Base-Base interactions energy: -48.658
where: short stacking energy: -45.401
Base-Backbone interact. energy: 0.332
local terms energy: -84.448258
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -103.912030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.912030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.912030 (E_RNA)
where:
Base-Base interactions energy: -39.620
where: short stacking energy: -39.620
Base-Backbone interact. energy: 0.115
local terms energy: -64.407294
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -6.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -90.868963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.868963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.868963 (E_RNA)
where:
Base-Base interactions energy: -33.230
where: short stacking energy: -28.500
Base-Backbone interact. energy: 3.187
local terms energy: -60.826499
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: 1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -266.430770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.430770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.430770 (E_RNA)
where:
Base-Base interactions energy: -151.882
where: short stacking energy: -103.513
Base-Backbone interact. energy: -0.043
local terms energy: -114.505306
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -24.395
flat angles P-C4'-P energy: -19.344
tors. eta vs tors. theta energy: -31.389
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: 288
Temperature: 0.950000
Total energy: -245.795010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.795010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.795010 (E_RNA)
where:
Base-Base interactions energy: -145.409
where: short stacking energy: -88.817
Base-Backbone interact. energy: -0.105
local terms energy: -100.281756
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -24.064
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: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -223.388761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.388761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.388761 (E_RNA)
where:
Base-Base interactions energy: -128.951
where: short stacking energy: -87.463
Base-Backbone interact. energy: -0.054
local terms energy: -94.383022
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -194.420676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.420676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.420676 (E_RNA)
where:
Base-Base interactions energy: -98.282
where: short stacking energy: -59.936
Base-Backbone interact. energy: -0.214
local terms energy: -95.924480
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -15.824
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: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -138.909650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.909650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.909650 (E_RNA)
where:
Base-Base interactions energy: -65.163
where: short stacking energy: -54.570
Base-Backbone interact. energy: -0.140
local terms energy: -73.606248
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -6.619
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: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -186.614527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.614527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.614527 (E_RNA)
where:
Base-Base interactions energy: -101.167
where: short stacking energy: -52.603
Base-Backbone interact. energy: -0.498
local terms energy: -84.949250
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -8.329
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: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -140.174560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.174560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.174560 (E_RNA)
where:
Base-Base interactions energy: -58.721
where: short stacking energy: -58.721
Base-Backbone interact. energy: -0.096
local terms energy: -81.357810
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -104.678628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.678628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.678628 (E_RNA)
where:
Base-Base interactions energy: -43.920
where: short stacking energy: -21.937
Base-Backbone interact. energy: 1.728
local terms energy: -62.486607
where:
bonds (distance) C4'-P energy: -22.366
bonds (distance) P-C4' energy: -23.026
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -6.839
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: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -109.738481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.738481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.738481 (E_RNA)
where:
Base-Base interactions energy: -36.857
where: short stacking energy: -36.857
Base-Backbone interact. energy: 0.190
local terms energy: -73.071398
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -97.948486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.948486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.948486 (E_RNA)
where:
Base-Base interactions energy: -29.023
where: short stacking energy: -27.708
Base-Backbone interact. energy: -0.063
local terms energy: -68.862599
where:
bonds (distance) C4'-P energy: -23.663
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -258.781424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.781424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.781424 (E_RNA)
where:
Base-Base interactions energy: -151.835
where: short stacking energy: -101.885
Base-Backbone interact. energy: -0.000
local terms energy: -106.945550
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -29.213
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: 289
Temperature: 0.950000
Total energy: -257.232881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.232881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.232881 (E_RNA)
where:
Base-Base interactions energy: -152.882
where: short stacking energy: -95.876
Base-Backbone interact. energy: 0.879
local terms energy: -105.230627
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -26.927
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: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -222.791219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.791219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.791219 (E_RNA)
where:
Base-Base interactions energy: -120.925
where: short stacking energy: -75.702
Base-Backbone interact. energy: -0.063
local terms energy: -101.803228
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -24.701
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -21.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -182.480237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.480237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.480237 (E_RNA)
where:
Base-Base interactions energy: -92.852
where: short stacking energy: -64.722
Base-Backbone interact. energy: 0.631
local terms energy: -90.258542
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -14.685
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: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -129.555290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.555290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.555290 (E_RNA)
where:
Base-Base interactions energy: -55.283
where: short stacking energy: -49.074
Base-Backbone interact. energy: -0.044
local terms energy: -74.228297
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -1.196
tors. eta vs tors. theta energy: -6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -192.382133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.382133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.382133 (E_RNA)
where:
Base-Base interactions energy: -105.865
where: short stacking energy: -69.730
Base-Backbone interact. energy: -0.030
local terms energy: -86.487429
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -25.111
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -113.236368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.236368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.236368 (E_RNA)
where:
Base-Base interactions energy: -41.592
where: short stacking energy: -37.066
Base-Backbone interact. energy: -0.220
local terms energy: -71.424581
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -6.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -130.703676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.703676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.703676 (E_RNA)
where:
Base-Base interactions energy: -58.448
where: short stacking energy: -37.732
Base-Backbone interact. energy: 0.056
local terms energy: -72.312449
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -12.396
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: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -106.532430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.532430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.532430 (E_RNA)
where:
Base-Base interactions energy: -40.813
where: short stacking energy: -39.891
Base-Backbone interact. energy: -0.306
local terms energy: -65.412647
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -5.675
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: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -98.170269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.170269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.170269 (E_RNA)
where:
Base-Base interactions energy: -31.104
where: short stacking energy: -31.039
Base-Backbone interact. energy: -0.157
local terms energy: -66.909905
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -270.573061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.573061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.573061 (E_RNA)
where:
Base-Base interactions energy: -155.747
where: short stacking energy: -102.531
Base-Backbone interact. energy: 0.674
local terms energy: -115.499872
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -32.083
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: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -248.320063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.320063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.320063 (E_RNA)
where:
Base-Base interactions energy: -146.171
where: short stacking energy: -85.125
Base-Backbone interact. energy: -0.053
local terms energy: -102.095792
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -22.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -202.559295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.559295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.559295 (E_RNA)
where:
Base-Base interactions energy: -107.457
where: short stacking energy: -67.173
Base-Backbone interact. energy: 1.111
local terms energy: -96.213173
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -189.705156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.705156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.705156 (E_RNA)
where:
Base-Base interactions energy: -97.502
where: short stacking energy: -65.982
Base-Backbone interact. energy: -0.084
local terms energy: -92.119759
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -14.671
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: 5, replica: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -196.064499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.064499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.064499 (E_RNA)
where:
Base-Base interactions energy: -110.363
where: short stacking energy: -72.390
Base-Backbone interact. energy: -0.035
local terms energy: -85.666753
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -140.213630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.213630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.213630 (E_RNA)
where:
Base-Base interactions energy: -71.103
where: short stacking energy: -46.166
Base-Backbone interact. energy: -0.143
local terms energy: -68.967642
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -15.476
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: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -126.065617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.065617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.065617 (E_RNA)
where:
Base-Base interactions energy: -53.868
where: short stacking energy: -41.466
Base-Backbone interact. energy: -0.198
local terms energy: -71.999410
where:
bonds (distance) C4'-P energy: -22.718
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -8.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -109.351628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.351628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.351628 (E_RNA)
where:
Base-Base interactions energy: -45.294
where: short stacking energy: -22.971
Base-Backbone interact. energy: -0.102
local terms energy: -63.955654
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -6.492
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: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -106.196040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.196040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.196040 (E_RNA)
where:
Base-Base interactions energy: -45.138
where: short stacking energy: -36.264
Base-Backbone interact. energy: -0.323
local terms energy: -60.734529
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -10.011
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: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -118.402679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.402679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.402679 (E_RNA)
where:
Base-Base interactions energy: -36.989
where: short stacking energy: -36.989
Base-Backbone interact. energy: -0.150
local terms energy: -81.263969
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -16.756
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -275.162702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.162702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.162702 (E_RNA)
where:
Base-Base interactions energy: -157.802
where: short stacking energy: -100.707
Base-Backbone interact. energy: -0.135
local terms energy: -117.226263
where:
bonds (distance) C4'-P energy: -25.144
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -25.055
flat angles P-C4'-P energy: -19.376
tors. eta vs tors. theta energy: -29.232
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: 291
Temperature: 0.950000
Total energy: -267.749032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.749032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.749032 (E_RNA)
where:
Base-Base interactions energy: -157.343
where: short stacking energy: -95.105
Base-Backbone interact. energy: -0.009
local terms energy: -110.397444
where:
bonds (distance) C4'-P energy: -24.335
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -22.760
flat angles P-C4'-P energy: -17.340
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: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -213.315323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.315323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.315323 (E_RNA)
where:
Base-Base interactions energy: -119.341
where: short stacking energy: -68.229
Base-Backbone interact. energy: -0.417
local terms energy: -93.557325
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -227.503546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.503546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.503546 (E_RNA)
where:
Base-Base interactions energy: -128.197
where: short stacking energy: -90.027
Base-Backbone interact. energy: -0.179
local terms energy: -99.127878
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -23.625
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: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -183.073293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.073293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.073293 (E_RNA)
where:
Base-Base interactions energy: -86.939
where: short stacking energy: -56.814
Base-Backbone interact. energy: -0.179
local terms energy: -95.955049
where:
bonds (distance) C4'-P energy: -22.813
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -22.153
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -16.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -121.635321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.635321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.635321 (E_RNA)
where:
Base-Base interactions energy: -56.284
where: short stacking energy: -49.500
Base-Backbone interact. energy: 0.528
local terms energy: -65.878921
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -125.382329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.382329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.382329 (E_RNA)
where:
Base-Base interactions energy: -45.170
where: short stacking energy: -45.170
Base-Backbone interact. energy: -0.959
local terms energy: -79.253104
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -109.400496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.400496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.400496 (E_RNA)
where:
Base-Base interactions energy: -31.266
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.333
local terms energy: -77.801650
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -95.399219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.399219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.399219 (E_RNA)
where:
Base-Base interactions energy: -32.958
where: short stacking energy: -25.479
Base-Backbone interact. energy: -0.245
local terms energy: -62.196825
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -10.600
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: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -101.948676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.948676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.948676 (E_RNA)
where:
Base-Base interactions energy: -36.288
where: short stacking energy: -36.288
Base-Backbone interact. energy: -0.482
local terms energy: -65.178897
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -275.282942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.282942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.282942 (E_RNA)
where:
Base-Base interactions energy: -170.096
where: short stacking energy: -96.741
Base-Backbone interact. energy: -0.141
local terms energy: -105.045733
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -24.481
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: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -263.997795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.997795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.997795 (E_RNA)
where:
Base-Base interactions energy: -148.161
where: short stacking energy: -99.974
Base-Backbone interact. energy: -0.043
local terms energy: -115.793766
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -22.828
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -32.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -221.591151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.591151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.591151 (E_RNA)
where:
Base-Base interactions energy: -121.632
where: short stacking energy: -78.158
Base-Backbone interact. energy: -0.286
local terms energy: -99.672477
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -21.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -203.744186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.744186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.744186 (E_RNA)
where:
Base-Base interactions energy: -108.367
where: short stacking energy: -68.240
Base-Backbone interact. energy: 0.019
local terms energy: -95.395582
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -16.513
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -162.959292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.959292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.959292 (E_RNA)
where:
Base-Base interactions energy: -81.171
where: short stacking energy: -47.863
Base-Backbone interact. energy: -0.103
local terms energy: -81.686166
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: -12.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -125.309269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.309269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.309269 (E_RNA)
where:
Base-Base interactions energy: -50.687
where: short stacking energy: -41.650
Base-Backbone interact. energy: -0.348
local terms energy: -74.274046
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -130.276191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.276191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.276191 (E_RNA)
where:
Base-Base interactions energy: -58.188
where: short stacking energy: -48.107
Base-Backbone interact. energy: -0.278
local terms energy: -71.809940
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -20.801
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -7.512
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: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -110.927690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.927690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.927690 (E_RNA)
where:
Base-Base interactions energy: -34.321
where: short stacking energy: -33.605
Base-Backbone interact. energy: -0.070
local terms energy: -76.536803
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -12.126
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: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -123.377069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.377069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.377069 (E_RNA)
where:
Base-Base interactions energy: -49.118
where: short stacking energy: -36.160
Base-Backbone interact. energy: -0.329
local terms energy: -73.929262
where:
bonds (distance) C4'-P energy: -19.814
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -4.619
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: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -95.265842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.265842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.265842 (E_RNA)
where:
Base-Base interactions energy: -26.170
where: short stacking energy: -24.912
Base-Backbone interact. energy: -0.387
local terms energy: -68.708734
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: 2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -270.843052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.843052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.843052 (E_RNA)
where:
Base-Base interactions energy: -154.076
where: short stacking energy: -98.158
Base-Backbone interact. energy: -0.012
local terms energy: -116.755467
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -24.097
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -30.418
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: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -277.596401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.596401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.596401 (E_RNA)
where:
Base-Base interactions energy: -159.014
where: short stacking energy: -105.909
Base-Backbone interact. energy: -0.590
local terms energy: -117.992436
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -33.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -220.698176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.698176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.698176 (E_RNA)
where:
Base-Base interactions energy: -115.942
where: short stacking energy: -79.503
Base-Backbone interact. energy: -0.500
local terms energy: -104.256071
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -17.771
tors. eta vs tors. theta energy: -22.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -178.809880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.809880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.809880 (E_RNA)
where:
Base-Base interactions energy: -96.562
where: short stacking energy: -57.531
Base-Backbone interact. energy: -0.043
local terms energy: -82.205038
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -127.010584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.010584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.010584 (E_RNA)
where:
Base-Base interactions energy: -60.038
where: short stacking energy: -49.432
Base-Backbone interact. energy: 2.685
local terms energy: -69.657519
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -18.784
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -6.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -175.937269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.937269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.937269 (E_RNA)
where:
Base-Base interactions energy: -96.393
where: short stacking energy: -75.063
Base-Backbone interact. energy: -0.041
local terms energy: -79.502605
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -109.422469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.422469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.422469 (E_RNA)
where:
Base-Base interactions energy: -35.009
where: short stacking energy: -34.914
Base-Backbone interact. energy: -0.121
local terms energy: -74.292893
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -21.290
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -118.872253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.872253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.872253 (E_RNA)
where:
Base-Base interactions energy: -48.438
where: short stacking energy: -39.388
Base-Backbone interact. energy: -0.329
local terms energy: -70.105357
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -6.039
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: 9, replica: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -107.195973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.195973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.195973 (E_RNA)
where:
Base-Base interactions energy: -49.498
where: short stacking energy: -41.649
Base-Backbone interact. energy: -0.235
local terms energy: -57.463519
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -2.386
tors. eta vs tors. theta energy: -7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -92.689139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.689139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.689139 (E_RNA)
where:
Base-Base interactions energy: -31.322
where: short stacking energy: -26.725
Base-Backbone interact. energy: 1.478
local terms energy: -62.844934
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: 1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -275.027382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.027382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.027382 (E_RNA)
where:
Base-Base interactions energy: -162.055
where: short stacking energy: -108.974
Base-Backbone interact. energy: -0.078
local terms energy: -112.894282
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -21.258
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -33.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -240.186264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.186264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.186264 (E_RNA)
where:
Base-Base interactions energy: -144.848
where: short stacking energy: -88.152
Base-Backbone interact. energy: -0.094
local terms energy: -95.243661
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -12.850
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: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -211.071470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.071470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.071470 (E_RNA)
where:
Base-Base interactions energy: -118.519
where: short stacking energy: -74.963
Base-Backbone interact. energy: -0.395
local terms energy: -92.157726
where:
bonds (distance) C4'-P energy: -21.694
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -201.951573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.951573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.951573 (E_RNA)
where:
Base-Base interactions energy: -109.624
where: short stacking energy: -71.127
Base-Backbone interact. energy: -0.121
local terms energy: -92.206913
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -175.721743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.721743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.721743 (E_RNA)
where:
Base-Base interactions energy: -84.288
where: short stacking energy: -52.674
Base-Backbone interact. energy: -0.510
local terms energy: -90.923941
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -22.966
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -13.932
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: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -127.874358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.874358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.874358 (E_RNA)
where:
Base-Base interactions energy: -54.466
where: short stacking energy: -42.878
Base-Backbone interact. energy: 1.192
local terms energy: -74.600099
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -111.783461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.783461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.783461 (E_RNA)
where:
Base-Base interactions energy: -39.026
where: short stacking energy: -36.837
Base-Backbone interact. energy: -0.102
local terms energy: -72.655134
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -5.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -102.488473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.488473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.488473 (E_RNA)
where:
Base-Base interactions energy: -37.140
where: short stacking energy: -34.991
Base-Backbone interact. energy: -0.347
local terms energy: -65.001484
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -6.375
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: 9, replica: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -103.391412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.391412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.391412 (E_RNA)
where:
Base-Base interactions energy: -44.265
where: short stacking energy: -36.810
Base-Backbone interact. energy: 1.097
local terms energy: -60.223050
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -98.883689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.883689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.883689 (E_RNA)
where:
Base-Base interactions energy: -30.264
where: short stacking energy: -30.764
Base-Backbone interact. energy: -0.196
local terms energy: -68.424134
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -8.491
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: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -274.902589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.902589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.902589 (E_RNA)
where:
Base-Base interactions energy: -162.760
where: short stacking energy: -111.158
Base-Backbone interact. energy: -1.211
local terms energy: -110.930960
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -35.204
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: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -233.626169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.626169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.626169 (E_RNA)
where:
Base-Base interactions energy: -130.213
where: short stacking energy: -85.173
Base-Backbone interact. energy: -0.191
local terms energy: -103.221922
where:
bonds (distance) C4'-P energy: -21.331
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -17.485
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: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -237.289630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.289630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.289630 (E_RNA)
where:
Base-Base interactions energy: -136.476
where: short stacking energy: -82.294
Base-Backbone interact. energy: -0.021
local terms energy: -100.792900
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -20.397
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -26.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -234.374918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.374918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.374918 (E_RNA)
where:
Base-Base interactions energy: -128.761
where: short stacking energy: -82.304
Base-Backbone interact. energy: -1.584
local terms energy: -104.030014
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -21.451
flat angles C4'-P-C4' energy: -22.200
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -26.699
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: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -166.209030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.209030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.209030 (E_RNA)
where:
Base-Base interactions energy: -84.832
where: short stacking energy: -53.168
Base-Backbone interact. energy: -0.365
local terms energy: -81.011657
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -120.738722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.738722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.738722 (E_RNA)
where:
Base-Base interactions energy: -44.677
where: short stacking energy: -43.058
Base-Backbone interact. energy: -0.265
local terms energy: -75.796848
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -130.943644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.943644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.943644 (E_RNA)
where:
Base-Base interactions energy: -53.531
where: short stacking energy: -33.779
Base-Backbone interact. energy: -0.859
local terms energy: -76.553757
where:
bonds (distance) C4'-P energy: -22.349
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -7.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -129.217915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.217915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.217915 (E_RNA)
where:
Base-Base interactions energy: -67.974
where: short stacking energy: -49.414
Base-Backbone interact. energy: -0.006
local terms energy: -61.238774
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -104.315151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.315151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.315151 (E_RNA)
where:
Base-Base interactions energy: -43.005
where: short stacking energy: -38.769
Base-Backbone interact. energy: 2.613
local terms energy: -63.922976
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -3.699
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: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -97.571553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.571553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.571553 (E_RNA)
where:
Base-Base interactions energy: -33.673
where: short stacking energy: -33.973
Base-Backbone interact. energy: 0.504
local terms energy: -64.403034
where:
bonds (distance) C4'-P energy: -22.259
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -270.178511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.178511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.178511 (E_RNA)
where:
Base-Base interactions energy: -155.108
where: short stacking energy: -103.928
Base-Backbone interact. energy: -0.312
local terms energy: -114.758579
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -16.675
tors. eta vs tors. theta energy: -33.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -217.653434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.653434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.653434 (E_RNA)
where:
Base-Base interactions energy: -123.675
where: short stacking energy: -83.721
Base-Backbone interact. energy: 0.922
local terms energy: -94.900597
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -23.013
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: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -247.108135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.108135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.108135 (E_RNA)
where:
Base-Base interactions energy: -153.726
where: short stacking energy: -86.106
Base-Backbone interact. energy: -0.166
local terms energy: -93.216338
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -21.749
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -215.244349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.244349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.244349 (E_RNA)
where:
Base-Base interactions energy: -119.371
where: short stacking energy: -68.947
Base-Backbone interact. energy: -0.520
local terms energy: -95.352490
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -18.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -151.047365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.047365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.047365 (E_RNA)
where:
Base-Base interactions energy: -68.297
where: short stacking energy: -53.604
Base-Backbone interact. energy: -0.461
local terms energy: -82.288549
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -12.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -166.848694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.848694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.848694 (E_RNA)
where:
Base-Base interactions energy: -83.776
where: short stacking energy: -44.914
Base-Backbone interact. energy: -0.283
local terms energy: -82.790514
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -9.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -134.409566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.409566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.409566 (E_RNA)
where:
Base-Base interactions energy: -56.648
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.119
local terms energy: -77.642318
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -17.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -104.220720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.220720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.220720 (E_RNA)
where:
Base-Base interactions energy: -39.142
where: short stacking energy: -39.142
Base-Backbone interact. energy: -0.437
local terms energy: -64.642146
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -1.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -115.975084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.975084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.975084 (E_RNA)
where:
Base-Base interactions energy: -39.179
where: short stacking energy: -39.179
Base-Backbone interact. energy: -0.088
local terms energy: -76.707950
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -95.474791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.474791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.474791 (E_RNA)
where:
Base-Base interactions energy: -26.124
where: short stacking energy: -21.024
Base-Backbone interact. energy: -0.680
local terms energy: -68.671533
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -273.099059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.099059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.099059 (E_RNA)
where:
Base-Base interactions energy: -155.054
where: short stacking energy: -103.790
Base-Backbone interact. energy: -0.084
local terms energy: -117.961786
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -24.302
flat angles P-C4'-P energy: -17.416
tors. eta vs tors. theta energy: -34.210
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: 297
Temperature: 0.950000
Total energy: -252.892663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.892663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.892663 (E_RNA)
where:
Base-Base interactions energy: -152.800
where: short stacking energy: -86.331
Base-Backbone interact. energy: -0.030
local terms energy: -100.062804
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -16.632
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: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -201.096938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.096938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.096938 (E_RNA)
where:
Base-Base interactions energy: -113.642
where: short stacking energy: -71.829
Base-Backbone interact. energy: -0.427
local terms energy: -87.028585
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -9.869
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: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -221.925627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.925627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.925627 (E_RNA)
where:
Base-Base interactions energy: -136.607
where: short stacking energy: -81.171
Base-Backbone interact. energy: -0.101
local terms energy: -85.217793
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -13.005
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: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -138.295435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.295435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.295435 (E_RNA)
where:
Base-Base interactions energy: -64.942
where: short stacking energy: -61.043
Base-Backbone interact. energy: -0.013
local terms energy: -73.341088
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -128.831140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.831140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.831140 (E_RNA)
where:
Base-Base interactions energy: -55.004
where: short stacking energy: -52.783
Base-Backbone interact. energy: -0.362
local terms energy: -73.464811
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -6.737
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: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -150.082005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.082005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.082005 (E_RNA)
where:
Base-Base interactions energy: -81.941
where: short stacking energy: -49.587
Base-Backbone interact. energy: -0.249
local terms energy: -67.892266
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -7.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -112.967775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.967775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.967775 (E_RNA)
where:
Base-Base interactions energy: -39.571
where: short stacking energy: -27.360
Base-Backbone interact. energy: -0.180
local terms energy: -73.217276
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -109.444874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.444874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.444874 (E_RNA)
where:
Base-Base interactions energy: -35.918
where: short stacking energy: -35.918
Base-Backbone interact. energy: -0.463
local terms energy: -73.063963
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -95.916461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.916461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.916461 (E_RNA)
where:
Base-Base interactions energy: -38.519
where: short stacking energy: -39.469
Base-Backbone interact. energy: 0.003
local terms energy: -57.400305
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -264.761838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.761838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.761838 (E_RNA)
where:
Base-Base interactions energy: -161.043
where: short stacking energy: -98.610
Base-Backbone interact. energy: 1.177
local terms energy: -104.896042
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -27.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -269.482673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.482673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.482673 (E_RNA)
where:
Base-Base interactions energy: -162.170
where: short stacking energy: -105.851
Base-Backbone interact. energy: -0.002
local terms energy: -107.310828
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -36.148
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: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -228.565640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.565640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.565640 (E_RNA)
where:
Base-Base interactions energy: -126.378
where: short stacking energy: -85.119
Base-Backbone interact. energy: -0.416
local terms energy: -101.771657
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -19.859
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -13.829
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: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -199.655080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.655080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.655080 (E_RNA)
where:
Base-Base interactions energy: -119.282
where: short stacking energy: -74.412
Base-Backbone interact. energy: -0.151
local terms energy: -80.221473
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -20.644
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -123.263571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.263571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.263571 (E_RNA)
where:
Base-Base interactions energy: -39.457
where: short stacking energy: -39.457
Base-Backbone interact. energy: -0.946
local terms energy: -82.861041
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -22.243
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -126.017680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.017680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.017680 (E_RNA)
where:
Base-Base interactions energy: -43.390
where: short stacking energy: -41.594
Base-Backbone interact. energy: -0.094
local terms energy: -82.534382
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -112.117018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.117018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.117018 (E_RNA)
where:
Base-Base interactions energy: -34.474
where: short stacking energy: -34.434
Base-Backbone interact. energy: -0.248
local terms energy: -77.395533
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -7.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -118.014128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.014128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.014128 (E_RNA)
where:
Base-Base interactions energy: -50.652
where: short stacking energy: -21.345
Base-Backbone interact. energy: -0.107
local terms energy: -67.255408
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -22.399
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: 0.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -109.578648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.578648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.578648 (E_RNA)
where:
Base-Base interactions energy: -45.327
where: short stacking energy: -45.327
Base-Backbone interact. energy: -0.100
local terms energy: -64.152124
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -92.345919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.345919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.345919 (E_RNA)
where:
Base-Base interactions energy: -30.833
where: short stacking energy: -28.735
Base-Backbone interact. energy: -0.048
local terms energy: -61.465497
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -1.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -271.217164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.217164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.217164 (E_RNA)
where:
Base-Base interactions energy: -162.402
where: short stacking energy: -93.031
Base-Backbone interact. energy: -0.007
local terms energy: -108.808400
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -29.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -243.154094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.154094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.154094 (E_RNA)
where:
Base-Base interactions energy: -136.150
where: short stacking energy: -81.805
Base-Backbone interact. energy: -0.098
local terms energy: -106.905682
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -26.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -256.555205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.555205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.555205 (E_RNA)
where:
Base-Base interactions energy: -153.679
where: short stacking energy: -103.547
Base-Backbone interact. energy: -0.003
local terms energy: -102.873856
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -29.144
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: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -186.255532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.255532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.255532 (E_RNA)
where:
Base-Base interactions energy: -99.104
where: short stacking energy: -64.954
Base-Backbone interact. energy: 0.532
local terms energy: -87.683559
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -138.073697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.073697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.073697 (E_RNA)
where:
Base-Base interactions energy: -57.299
where: short stacking energy: -45.862
Base-Backbone interact. energy: -0.194
local terms energy: -80.580410
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -21.222
flat angles P-C4'-P energy: -17.888
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: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -120.091728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.091728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.091728 (E_RNA)
where:
Base-Base interactions energy: -39.242
where: short stacking energy: -39.242
Base-Backbone interact. energy: -0.085
local terms energy: -80.764684
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -7.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -118.911098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.911098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.911098 (E_RNA)
where:
Base-Base interactions energy: -51.376
where: short stacking energy: -43.923
Base-Backbone interact. energy: 0.456
local terms energy: -67.991270
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -20.456
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -6.277
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: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -117.652159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.652159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.652159 (E_RNA)
where:
Base-Base interactions energy: -56.091
where: short stacking energy: -36.779
Base-Backbone interact. energy: 3.022
local terms energy: -64.583842
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -11.514
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: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -104.902606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.902606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.902606 (E_RNA)
where:
Base-Base interactions energy: -29.345
where: short stacking energy: -28.068
Base-Backbone interact. energy: -0.185
local terms energy: -75.373255
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -19.351
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -103.758667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.758667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.758667 (E_RNA)
where:
Base-Base interactions energy: -43.153
where: short stacking energy: -43.153
Base-Backbone interact. energy: -0.092
local terms energy: -60.513771
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -12.608
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: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -264.877581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.877581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.877581 (E_RNA)
where:
Base-Base interactions energy: -156.070
where: short stacking energy: -96.370
Base-Backbone interact. energy: -0.115
local terms energy: -108.692932
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -24.079
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -29.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -228.907120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.907120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.907120 (E_RNA)
where:
Base-Base interactions energy: -132.120
where: short stacking energy: -76.470
Base-Backbone interact. energy: 0.032
local terms energy: -96.819302
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -23.885
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -24.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -200.727915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.727915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.727915 (E_RNA)
where:
Base-Base interactions energy: -113.096
where: short stacking energy: -68.547
Base-Backbone interact. energy: -0.320
local terms energy: -87.312185
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -220.624697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.624697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.624697 (E_RNA)
where:
Base-Base interactions energy: -127.320
where: short stacking energy: -91.856
Base-Backbone interact. energy: -0.029
local terms energy: -93.275755
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -25.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -140.303564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.303564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.303564 (E_RNA)
where:
Base-Base interactions energy: -53.628
where: short stacking energy: -50.195
Base-Backbone interact. energy: -0.095
local terms energy: -86.580199
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -20.399
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -113.469881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.469881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.469881 (E_RNA)
where:
Base-Base interactions energy: -47.960
where: short stacking energy: -47.960
Base-Backbone interact. energy: -0.128
local terms energy: -65.382156
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -5.353
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: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -142.264028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.264028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.264028 (E_RNA)
where:
Base-Base interactions energy: -70.080
where: short stacking energy: -44.836
Base-Backbone interact. energy: -0.043
local terms energy: -72.141169
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -7.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -117.023519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.023519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.023519 (E_RNA)
where:
Base-Base interactions energy: -43.651
where: short stacking energy: -23.688
Base-Backbone interact. energy: -0.200
local terms energy: -73.172440
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -21.570
flat angles P-C4'-P energy: -8.397
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: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -120.534703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.534703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.534703 (E_RNA)
where:
Base-Base interactions energy: -58.163
where: short stacking energy: -35.022
Base-Backbone interact. energy: -0.483
local terms energy: -61.888747
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -94.094987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.094987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.094987 (E_RNA)
where:
Base-Base interactions energy: -21.823
where: short stacking energy: -18.596
Base-Backbone interact. energy: 0.208
local terms energy: -72.479658
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -258.293000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.293000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.293000 (E_RNA)
where:
Base-Base interactions energy: -153.033
where: short stacking energy: -82.534
Base-Backbone interact. energy: 0.054
local terms energy: -105.313381
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -22.984
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -23.883
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: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -243.411469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.411469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.411469 (E_RNA)
where:
Base-Base interactions energy: -145.398
where: short stacking energy: -85.992
Base-Backbone interact. energy: -0.087
local terms energy: -97.926753
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -22.132
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -26.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -218.073041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.073041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.073041 (E_RNA)
where:
Base-Base interactions energy: -124.909
where: short stacking energy: -89.258
Base-Backbone interact. energy: -0.041
local terms energy: -93.122803
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -11.700
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: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -229.999054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.999054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.999054 (E_RNA)
where:
Base-Base interactions energy: -136.788
where: short stacking energy: -80.400
Base-Backbone interact. energy: -0.320
local terms energy: -92.890861
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -22.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -141.880889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.880889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.880889 (E_RNA)
where:
Base-Base interactions energy: -58.699
where: short stacking energy: -58.699
Base-Backbone interact. energy: -0.324
local terms energy: -82.858587
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -15.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -136.148948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.148948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.148948 (E_RNA)
where:
Base-Base interactions energy: -51.895
where: short stacking energy: -51.895
Base-Backbone interact. energy: -0.053
local terms energy: -84.201400
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -14.994
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: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -124.378872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.378872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.378872 (E_RNA)
where:
Base-Base interactions energy: -50.954
where: short stacking energy: -50.145
Base-Backbone interact. energy: 0.117
local terms energy: -73.541981
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -11.151
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: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -109.403094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.403094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.403094 (E_RNA)
where:
Base-Base interactions energy: -45.122
where: short stacking energy: -45.122
Base-Backbone interact. energy: -0.130
local terms energy: -64.150933
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -124.131540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.131540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.131540 (E_RNA)
where:
Base-Base interactions energy: -44.623
where: short stacking energy: -44.599
Base-Backbone interact. energy: -0.202
local terms energy: -79.307140
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -111.802668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.802668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.802668 (E_RNA)
where:
Base-Base interactions energy: -42.975
where: short stacking energy: -40.719
Base-Backbone interact. energy: -0.386
local terms energy: -68.441707
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -21.859
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -5.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -243.381252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.381252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.381252 (E_RNA)
where:
Base-Base interactions energy: -143.845
where: short stacking energy: -80.398
Base-Backbone interact. energy: -0.573
local terms energy: -98.963397
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -23.716
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: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -237.189923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.189923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.189923 (E_RNA)
where:
Base-Base interactions energy: -129.177
where: short stacking energy: -84.898
Base-Backbone interact. energy: -0.077
local terms energy: -107.935447
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -17.578
tors. eta vs tors. theta energy: -22.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -229.542228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.542228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.542228 (E_RNA)
where:
Base-Base interactions energy: -129.816
where: short stacking energy: -76.501
Base-Backbone interact. energy: -0.042
local terms energy: -99.684124
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -21.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -215.829924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.829924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.829924 (E_RNA)
where:
Base-Base interactions energy: -120.150
where: short stacking energy: -70.648
Base-Backbone interact. energy: -0.150
local terms energy: -95.529758
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -20.663
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: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -148.074076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.074076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.074076 (E_RNA)
where:
Base-Base interactions energy: -77.151
where: short stacking energy: -52.032
Base-Backbone interact. energy: -0.699
local terms energy: -70.224079
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -8.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -156.765295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.765295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.765295 (E_RNA)
where:
Base-Base interactions energy: -85.493
where: short stacking energy: -72.077
Base-Backbone interact. energy: -0.118
local terms energy: -71.154988
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -13.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -107.540873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.540873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.540873 (E_RNA)
where:
Base-Base interactions energy: -40.538
where: short stacking energy: -21.799
Base-Backbone interact. energy: -0.194
local terms energy: -66.808782
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: 1.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -106.761394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.761394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.761394 (E_RNA)
where:
Base-Base interactions energy: -39.372
where: short stacking energy: -34.113
Base-Backbone interact. energy: -0.049
local terms energy: -67.340810
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -0.421
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: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -96.405114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.405114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.405114 (E_RNA)
where:
Base-Base interactions energy: -27.019
where: short stacking energy: -27.019
Base-Backbone interact. energy: -0.117
local terms energy: -69.268577
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -20.357
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -98.280176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.280176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.280176 (E_RNA)
where:
Base-Base interactions energy: -29.515
where: short stacking energy: -29.408
Base-Backbone interact. energy: 1.766
local terms energy: -70.531261
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -13.215
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: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -246.326950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.326950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.326950 (E_RNA)
where:
Base-Base interactions energy: -147.957
where: short stacking energy: -89.235
Base-Backbone interact. energy: -0.105
local terms energy: -98.265695
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -231.963172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.963172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.963172 (E_RNA)
where:
Base-Base interactions energy: -136.615
where: short stacking energy: -89.553
Base-Backbone interact. energy: -0.194
local terms energy: -95.155073
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -211.196578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.196578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.196578 (E_RNA)
where:
Base-Base interactions energy: -126.829
where: short stacking energy: -80.782
Base-Backbone interact. energy: -0.035
local terms energy: -84.332760
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -18.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -224.131000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.131000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.131000 (E_RNA)
where:
Base-Base interactions energy: -128.903
where: short stacking energy: -76.983
Base-Backbone interact. energy: -0.161
local terms energy: -95.067092
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -24.005
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: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -162.356312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.356312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.356312 (E_RNA)
where:
Base-Base interactions energy: -74.302
where: short stacking energy: -53.733
Base-Backbone interact. energy: -0.292
local terms energy: -87.762750
where:
bonds (distance) C4'-P energy: -24.275
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -13.267
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: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -117.823303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.823303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.823303 (E_RNA)
where:
Base-Base interactions energy: -43.927
where: short stacking energy: -41.444
Base-Backbone interact. energy: -0.166
local terms energy: -73.729685
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -10.834
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: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -143.451400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.451400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.451400 (E_RNA)
where:
Base-Base interactions energy: -80.052
where: short stacking energy: -48.033
Base-Backbone interact. energy: -0.043
local terms energy: -63.356386
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -107.950719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.950719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.950719 (E_RNA)
where:
Base-Base interactions energy: -37.284
where: short stacking energy: -37.284
Base-Backbone interact. energy: -0.283
local terms energy: -70.384485
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -13.545
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: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -101.587689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.587689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.587689 (E_RNA)
where:
Base-Base interactions energy: -42.894
where: short stacking energy: -42.894
Base-Backbone interact. energy: -0.472
local terms energy: -58.221629
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -8.637
flat angles P-C4'-P energy: -8.904
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: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -122.052651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.052651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.052651 (E_RNA)
where:
Base-Base interactions energy: -57.454
where: short stacking energy: -57.554
Base-Backbone interact. energy: -0.308
local terms energy: -64.290317
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -238.600472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.600472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.600472 (E_RNA)
where:
Base-Base interactions energy: -130.589
where: short stacking energy: -80.546
Base-Backbone interact. energy: -0.048
local terms energy: -107.964274
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -23.958
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: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -260.301623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.301623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.301623 (E_RNA)
where:
Base-Base interactions energy: -160.389
where: short stacking energy: -83.269
Base-Backbone interact. energy: -0.067
local terms energy: -99.846220
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -24.285
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -18.043
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: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -218.275963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.275963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.275963 (E_RNA)
where:
Base-Base interactions energy: -129.219
where: short stacking energy: -74.957
Base-Backbone interact. energy: -0.244
local terms energy: -88.812501
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -197.885258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.885258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.885258 (E_RNA)
where:
Base-Base interactions energy: -108.650
where: short stacking energy: -63.172
Base-Backbone interact. energy: -0.123
local terms energy: -89.112395
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -159.483012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.483012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.483012 (E_RNA)
where:
Base-Base interactions energy: -72.411
where: short stacking energy: -47.824
Base-Backbone interact. energy: -0.029
local terms energy: -87.042723
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -10.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -131.999794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.999794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.999794 (E_RNA)
where:
Base-Base interactions energy: -49.010
where: short stacking energy: -49.010
Base-Backbone interact. energy: -0.117
local terms energy: -82.871800
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -23.463
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -13.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -122.467454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.467454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.467454 (E_RNA)
where:
Base-Base interactions energy: -49.206
where: short stacking energy: -40.632
Base-Backbone interact. energy: -0.146
local terms energy: -73.115320
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -13.408
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: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -122.675490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.675490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.675490 (E_RNA)
where:
Base-Base interactions energy: -50.581
where: short stacking energy: -44.574
Base-Backbone interact. energy: -0.121
local terms energy: -71.973024
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -6.184
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: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -101.166475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.166475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.166475 (E_RNA)
where:
Base-Base interactions energy: -33.323
where: short stacking energy: -29.789
Base-Backbone interact. energy: -0.197
local terms energy: -67.646356
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -88.968696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.968696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.968696 (E_RNA)
where:
Base-Base interactions energy: -33.431
where: short stacking energy: -21.960
Base-Backbone interact. energy: 0.521
local terms energy: -56.058560
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: 1.301
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: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -246.059542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.059542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.059542 (E_RNA)
where:
Base-Base interactions energy: -138.535
where: short stacking energy: -90.917
Base-Backbone interact. energy: 0.906
local terms energy: -108.430457
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -26.073
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -27.620
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: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -244.456293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.456293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.456293 (E_RNA)
where:
Base-Base interactions energy: -145.578
where: short stacking energy: -74.666
Base-Backbone interact. energy: -0.056
local terms energy: -98.822470
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -22.705
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -22.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -211.917534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.917534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.917534 (E_RNA)
where:
Base-Base interactions energy: -116.820
where: short stacking energy: -74.739
Base-Backbone interact. energy: -0.141
local terms energy: -94.956776
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -203.687717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.687717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.687717 (E_RNA)
where:
Base-Base interactions energy: -118.196
where: short stacking energy: -70.667
Base-Backbone interact. energy: -0.234
local terms energy: -85.258145
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -165.445797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.445797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.445797 (E_RNA)
where:
Base-Base interactions energy: -70.717
where: short stacking energy: -51.284
Base-Backbone interact. energy: -0.562
local terms energy: -94.167123
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -23.628
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -13.436
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: 305
Temperature: 1.150000
Total energy: -131.625056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.625056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.625056 (E_RNA)
where:
Base-Base interactions energy: -59.490
where: short stacking energy: -44.781
Base-Backbone interact. energy: -0.176
local terms energy: -71.959642
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -7.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -104.827862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.827862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.827862 (E_RNA)
where:
Base-Base interactions energy: -37.017
where: short stacking energy: -36.971
Base-Backbone interact. energy: -0.374
local terms energy: -67.436267
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -6.995
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -8.347
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: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -113.317274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.317274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.317274 (E_RNA)
where:
Base-Base interactions energy: -42.710
where: short stacking energy: -40.816
Base-Backbone interact. energy: 0.359
local terms energy: -70.966117
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -100.332884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.332884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.332884 (E_RNA)
where:
Base-Base interactions energy: -30.409
where: short stacking energy: -30.409
Base-Backbone interact. energy: -0.610
local terms energy: -69.312933
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -3.329
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: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -101.128415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.128415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.128415 (E_RNA)
where:
Base-Base interactions energy: -36.541
where: short stacking energy: -36.541
Base-Backbone interact. energy: 0.487
local terms energy: -65.074394
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -7.486
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: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -252.775595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.775595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.775595 (E_RNA)
where:
Base-Base interactions energy: -152.197
where: short stacking energy: -72.290
Base-Backbone interact. energy: 0.154
local terms energy: -100.732782
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -235.438746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.438746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.438746 (E_RNA)
where:
Base-Base interactions energy: -135.392
where: short stacking energy: -89.079
Base-Backbone interact. energy: -0.102
local terms energy: -99.945258
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -23.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -228.855726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.855726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.855726 (E_RNA)
where:
Base-Base interactions energy: -135.701
where: short stacking energy: -90.927
Base-Backbone interact. energy: -0.089
local terms energy: -93.065588
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -21.388
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -24.510
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: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -226.298631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.298631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.298631 (E_RNA)
where:
Base-Base interactions energy: -129.041
where: short stacking energy: -74.883
Base-Backbone interact. energy: -0.235
local terms energy: -97.022295
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -22.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -135.395629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.395629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.395629 (E_RNA)
where:
Base-Base interactions energy: -48.726
where: short stacking energy: -48.260
Base-Backbone interact. energy: -0.118
local terms energy: -86.551590
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -12.143
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: 306
Temperature: 1.150000
Total energy: -149.684160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.684160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.684160 (E_RNA)
where:
Base-Base interactions energy: -75.154
where: short stacking energy: -54.706
Base-Backbone interact. energy: -0.202
local terms energy: -74.328005
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -13.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -138.532266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.532266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.532266 (E_RNA)
where:
Base-Base interactions energy: -65.588
where: short stacking energy: -46.424
Base-Backbone interact. energy: -0.016
local terms energy: -72.928712
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -9.757
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: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -112.684187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.684187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.684187 (E_RNA)
where:
Base-Base interactions energy: -35.840
where: short stacking energy: -35.840
Base-Backbone interact. energy: -1.113
local terms energy: -75.731826
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -7.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -107.796755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.796755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.796755 (E_RNA)
where:
Base-Base interactions energy: -40.027
where: short stacking energy: -40.385
Base-Backbone interact. energy: -0.348
local terms energy: -67.421509
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -91.208187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.208187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.208187 (E_RNA)
where:
Base-Base interactions energy: -25.845
where: short stacking energy: -25.845
Base-Backbone interact. energy: -0.237
local terms energy: -65.126081
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: 3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -242.826573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.826573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.826573 (E_RNA)
where:
Base-Base interactions energy: -136.212
where: short stacking energy: -72.634
Base-Backbone interact. energy: -0.026
local terms energy: -106.587897
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -25.244
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -242.526439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.526439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.526439 (E_RNA)
where:
Base-Base interactions energy: -146.955
where: short stacking energy: -89.677
Base-Backbone interact. energy: -0.578
local terms energy: -94.993695
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -17.548
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: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -215.291878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.291878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.291878 (E_RNA)
where:
Base-Base interactions energy: -118.640
where: short stacking energy: -83.891
Base-Backbone interact. energy: -0.370
local terms energy: -96.282548
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -21.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -209.189287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.189287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.189287 (E_RNA)
where:
Base-Base interactions energy: -124.463
where: short stacking energy: -68.858
Base-Backbone interact. energy: 0.177
local terms energy: -84.903053
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -132.128825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.128825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.128825 (E_RNA)
where:
Base-Base interactions energy: -49.903
where: short stacking energy: -47.554
Base-Backbone interact. energy: -0.123
local terms energy: -82.102476
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -10.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -118.293600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.293600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.293600 (E_RNA)
where:
Base-Base interactions energy: -43.390
where: short stacking energy: -42.350
Base-Backbone interact. energy: -0.258
local terms energy: -74.644963
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -118.267291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.267291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.267291 (E_RNA)
where:
Base-Base interactions energy: -40.673
where: short stacking energy: -38.477
Base-Backbone interact. energy: -0.201
local terms energy: -77.393674
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -102.404547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.404547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.404547 (E_RNA)
where:
Base-Base interactions energy: -37.124
where: short stacking energy: -34.805
Base-Backbone interact. energy: -0.193
local terms energy: -65.087037
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -21.990
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: 0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -120.068431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.068431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.068431 (E_RNA)
where:
Base-Base interactions energy: -41.940
where: short stacking energy: -41.539
Base-Backbone interact. energy: -0.247
local terms energy: -77.882206
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -15.054
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: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -106.568236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.568236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.568236 (E_RNA)
where:
Base-Base interactions energy: -39.137
where: short stacking energy: -25.919
Base-Backbone interact. energy: -0.209
local terms energy: -67.222757
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: 0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -250.953286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.953286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.953286 (E_RNA)
where:
Base-Base interactions energy: -153.566
where: short stacking energy: -88.073
Base-Backbone interact. energy: -0.106
local terms energy: -97.280733
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -20.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -249.322612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.322612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.322612 (E_RNA)
where:
Base-Base interactions energy: -144.760
where: short stacking energy: -96.229
Base-Backbone interact. energy: -0.089
local terms energy: -104.473100
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -26.934
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: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -232.130774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.130774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.130774 (E_RNA)
where:
Base-Base interactions energy: -134.530
where: short stacking energy: -86.902
Base-Backbone interact. energy: -0.125
local terms energy: -97.475846
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -19.722
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -24.040
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: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -197.832909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.832909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.832909 (E_RNA)
where:
Base-Base interactions energy: -107.730
where: short stacking energy: -72.817
Base-Backbone interact. energy: -0.225
local terms energy: -89.878292
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -128.175848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.175848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.175848 (E_RNA)
where:
Base-Base interactions energy: -56.875
where: short stacking energy: -52.816
Base-Backbone interact. energy: -0.184
local terms energy: -71.116942
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -9.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -117.136848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.136848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.136848 (E_RNA)
where:
Base-Base interactions energy: -44.411
where: short stacking energy: -31.127
Base-Backbone interact. energy: -0.752
local terms energy: -71.974014
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -23.684
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -114.453706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.453706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.453706 (E_RNA)
where:
Base-Base interactions energy: -39.554
where: short stacking energy: -30.086
Base-Backbone interact. energy: -0.201
local terms energy: -74.698367
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -122.839329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.839329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.839329 (E_RNA)
where:
Base-Base interactions energy: -56.239
where: short stacking energy: -36.229
Base-Backbone interact. energy: -0.128
local terms energy: -66.472033
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -13.194
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: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -107.022170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.022170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.022170 (E_RNA)
where:
Base-Base interactions energy: -50.944
where: short stacking energy: -33.001
Base-Backbone interact. energy: -0.438
local terms energy: -55.639550
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -9.992
flat angles P-C4'-P energy: -4.299
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: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -107.960935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.960935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.960935 (E_RNA)
where:
Base-Base interactions energy: -39.100
where: short stacking energy: -39.100
Base-Backbone interact. energy: -0.374
local terms energy: -68.486311
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -252.363010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.363010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.363010 (E_RNA)
where:
Base-Base interactions energy: -148.654
where: short stacking energy: -86.043
Base-Backbone interact. energy: -0.056
local terms energy: -103.652326
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -16.262
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: 2, replica: 9
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -243.691859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.691859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.691859 (E_RNA)
where:
Base-Base interactions energy: -146.009
where: short stacking energy: -95.002
Base-Backbone interact. energy: -0.252
local terms energy: -97.430791
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -29.473
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: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -230.147014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.147014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.147014 (E_RNA)
where:
Base-Base interactions energy: -131.167
where: short stacking energy: -85.198
Base-Backbone interact. energy: 0.592
local terms energy: -99.572222
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -12.682
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: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -190.081406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.081406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.081406 (E_RNA)
where:
Base-Base interactions energy: -102.289
where: short stacking energy: -57.270
Base-Backbone interact. energy: -0.042
local terms energy: -87.750734
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -24.771
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -9.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -135.023998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.023998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.023998 (E_RNA)
where:
Base-Base interactions energy: -43.713
where: short stacking energy: -43.713
Base-Backbone interact. energy: 0.029
local terms energy: -91.340125
where:
bonds (distance) C4'-P energy: -21.343
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -12.926
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: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -133.743227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.743227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.743227 (E_RNA)
where:
Base-Base interactions energy: -60.600
where: short stacking energy: -44.401
Base-Backbone interact. energy: -1.334
local terms energy: -71.808633
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -103.324130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.324130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.324130 (E_RNA)
where:
Base-Base interactions energy: -33.770
where: short stacking energy: -28.213
Base-Backbone interact. energy: -0.793
local terms energy: -68.761054
where:
bonds (distance) C4'-P energy: -21.709
bonds (distance) P-C4' energy: -23.241
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: 2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -101.512548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.512548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.512548 (E_RNA)
where:
Base-Base interactions energy: -32.099
where: short stacking energy: -26.720
Base-Backbone interact. energy: 1.998
local terms energy: -71.412056
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -109.681120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.681120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.681120 (E_RNA)
where:
Base-Base interactions energy: -45.943
where: short stacking energy: -42.309
Base-Backbone interact. energy: -0.421
local terms energy: -63.316692
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -4.744
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -103.445982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.445982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.445982 (E_RNA)
where:
Base-Base interactions energy: -42.035
where: short stacking energy: -42.035
Base-Backbone interact. energy: -0.154
local terms energy: -61.256858
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -254.618926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.618926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.618926 (E_RNA)
where:
Base-Base interactions energy: -142.253
where: short stacking energy: -95.153
Base-Backbone interact. energy: -0.002
local terms energy: -112.363879
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -23.607
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -28.108
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: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -240.229610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.229610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.229610 (E_RNA)
where:
Base-Base interactions energy: -146.064
where: short stacking energy: -86.089
Base-Backbone interact. energy: -0.138
local terms energy: -94.028350
where:
bonds (distance) C4'-P energy: -18.893
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -22.057
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: -13.708
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: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -236.333202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.333202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.333202 (E_RNA)
where:
Base-Base interactions energy: -136.149
where: short stacking energy: -80.627
Base-Backbone interact. energy: -0.261
local terms energy: -99.923507
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -24.280
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -201.141000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.141000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.141000 (E_RNA)
where:
Base-Base interactions energy: -110.720
where: short stacking energy: -66.887
Base-Backbone interact. energy: -0.097
local terms energy: -90.323306
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -11.995
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: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -131.959949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.959949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.959949 (E_RNA)
where:
Base-Base interactions energy: -47.595
where: short stacking energy: -48.495
Base-Backbone interact. energy: -0.890
local terms energy: -83.475019
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -152.325097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.325097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.325097 (E_RNA)
where:
Base-Base interactions energy: -63.416
where: short stacking energy: -55.275
Base-Backbone interact. energy: -0.134
local terms energy: -88.775088
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -14.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -113.902992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.902992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.902992 (E_RNA)
where:
Base-Base interactions energy: -39.415
where: short stacking energy: -38.807
Base-Backbone interact. energy: 0.889
local terms energy: -75.377434
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -103.092512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.092512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.092512 (E_RNA)
where:
Base-Base interactions energy: -37.683
where: short stacking energy: -33.227
Base-Backbone interact. energy: 0.775
local terms energy: -66.184816
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -87.868957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.868957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.868957 (E_RNA)
where:
Base-Base interactions energy: -35.668
where: short stacking energy: -35.668
Base-Backbone interact. energy: -0.513
local terms energy: -51.687999
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -11.343
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -0.472
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: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -89.364837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.364837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.364837 (E_RNA)
where:
Base-Base interactions energy: -43.375
where: short stacking energy: -43.375
Base-Backbone interact. energy: 0.208
local terms energy: -46.198082
where:
bonds (distance) C4'-P energy: -8.449
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -2.072
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -261.573276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.573276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.573276 (E_RNA)
where:
Base-Base interactions energy: -151.004
where: short stacking energy: -97.631
Base-Backbone interact. energy: -0.017
local terms energy: -110.552332
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -23.859
flat angles C4'-P-C4' energy: -21.654
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -31.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -236.945196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.945196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.945196 (E_RNA)
where:
Base-Base interactions energy: -141.840
where: short stacking energy: -71.280
Base-Backbone interact. energy: 1.075
local terms energy: -96.179724
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -16.493
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: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -230.061532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.061532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.061532 (E_RNA)
where:
Base-Base interactions energy: -133.507
where: short stacking energy: -64.985
Base-Backbone interact. energy: -0.330
local terms energy: -96.224947
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -207.499424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.499424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.499424 (E_RNA)
where:
Base-Base interactions energy: -111.009
where: short stacking energy: -71.347
Base-Backbone interact. energy: -0.053
local terms energy: -96.437405
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -146.493448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.493448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.493448 (E_RNA)
where:
Base-Base interactions energy: -66.075
where: short stacking energy: -66.075
Base-Backbone interact. energy: -0.083
local terms energy: -80.334638
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -131.448985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.448985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.448985 (E_RNA)
where:
Base-Base interactions energy: -53.428
where: short stacking energy: -47.775
Base-Backbone interact. energy: -0.257
local terms energy: -77.763428
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -12.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -126.043058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.043058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.043058 (E_RNA)
where:
Base-Base interactions energy: -45.522
where: short stacking energy: -44.894
Base-Backbone interact. energy: -0.310
local terms energy: -80.211120
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -22.627
flat angles C4'-P-C4' energy: -22.628
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -7.408
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: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -118.777904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.777904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.777904 (E_RNA)
where:
Base-Base interactions energy: -51.162
where: short stacking energy: -48.384
Base-Backbone interact. energy: -1.059
local terms energy: -66.557549
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -104.312374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.312374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.312374 (E_RNA)
where:
Base-Base interactions energy: -42.113
where: short stacking energy: -23.089
Base-Backbone interact. energy: -0.269
local terms energy: -61.930566
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -100.581781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.581781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.581781 (E_RNA)
where:
Base-Base interactions energy: -37.911
where: short stacking energy: -28.356
Base-Backbone interact. energy: 1.296
local terms energy: -63.967324
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -255.565070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.565070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.565070 (E_RNA)
where:
Base-Base interactions energy: -145.641
where: short stacking energy: -89.224
Base-Backbone interact. energy: -0.334
local terms energy: -109.590116
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -19.971
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: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -238.344658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.344658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.344658 (E_RNA)
where:
Base-Base interactions energy: -132.728
where: short stacking energy: -91.057
Base-Backbone interact. energy: 0.238
local terms energy: -105.854599
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -26.829
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -25.666
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: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -230.934516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.934516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.934516 (E_RNA)
where:
Base-Base interactions energy: -127.323
where: short stacking energy: -69.138
Base-Backbone interact. energy: -0.359
local terms energy: -103.252167
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -23.121
flat angles C4'-P-C4' energy: -26.825
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -18.339
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: 312
Temperature: 1.050000
Total energy: -209.855026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.855026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.855026 (E_RNA)
where:
Base-Base interactions energy: -120.351
where: short stacking energy: -76.055
Base-Backbone interact. energy: -0.282
local terms energy: -89.222090
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -16.946
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: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -137.333554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.333554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.333554 (E_RNA)
where:
Base-Base interactions energy: -45.464
where: short stacking energy: -39.411
Base-Backbone interact. energy: -0.277
local terms energy: -91.592656
where:
bonds (distance) C4'-P energy: -24.065
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -137.848535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.848535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.848535 (E_RNA)
where:
Base-Base interactions energy: -60.862
where: short stacking energy: -60.862
Base-Backbone interact. energy: -0.057
local terms energy: -76.929557
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -122.144517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.144517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.144517 (E_RNA)
where:
Base-Base interactions energy: -42.699
where: short stacking energy: -42.699
Base-Backbone interact. energy: -0.794
local terms energy: -78.651251
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -115.497324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.497324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.497324 (E_RNA)
where:
Base-Base interactions energy: -38.401
where: short stacking energy: -38.401
Base-Backbone interact. energy: -0.006
local terms energy: -77.090280
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -10.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -109.696808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.696808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.696808 (E_RNA)
where:
Base-Base interactions energy: -36.941
where: short stacking energy: -22.464
Base-Backbone interact. energy: -0.146
local terms energy: -72.609360
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -14.313
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: 10, replica: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -99.995505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.995505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.995505 (E_RNA)
where:
Base-Base interactions energy: -35.508
where: short stacking energy: -35.508
Base-Backbone interact. energy: 0.031
local terms energy: -64.518352
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: 0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -278.516028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.516028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.516028 (E_RNA)
where:
Base-Base interactions energy: -153.936
where: short stacking energy: -105.100
Base-Backbone interact. energy: -0.011
local terms energy: -124.568695
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -17.473
tors. eta vs tors. theta energy: -35.957
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: 313
Temperature: 0.950000
Total energy: -252.969044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.969044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.969044 (E_RNA)
where:
Base-Base interactions energy: -151.771
where: short stacking energy: -89.809
Base-Backbone interact. energy: -0.409
local terms energy: -100.788852
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -24.502
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -20.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -229.064995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.064995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.064995 (E_RNA)
where:
Base-Base interactions energy: -135.034
where: short stacking energy: -69.912
Base-Backbone interact. energy: -0.051
local terms energy: -93.980208
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -229.498911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.498911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.498911 (E_RNA)
where:
Base-Base interactions energy: -131.966
where: short stacking energy: -85.629
Base-Backbone interact. energy: -0.012
local terms energy: -97.520170
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -27.314
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: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -143.573195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.573195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.573195 (E_RNA)
where:
Base-Base interactions energy: -66.519
where: short stacking energy: -62.523
Base-Backbone interact. energy: -0.433
local terms energy: -76.620966
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -16.560
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: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -150.112591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.112591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.112591 (E_RNA)
where:
Base-Base interactions energy: -69.515
where: short stacking energy: -69.515
Base-Backbone interact. energy: -0.634
local terms energy: -79.962926
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -122.192201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.192201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.192201 (E_RNA)
where:
Base-Base interactions energy: -43.200
where: short stacking energy: -43.200
Base-Backbone interact. energy: -0.042
local terms energy: -78.949794
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -15.731
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: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -115.622724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.622724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.622724 (E_RNA)
where:
Base-Base interactions energy: -41.759
where: short stacking energy: -41.759
Base-Backbone interact. energy: -0.289
local terms energy: -73.574903
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -95.910939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.910939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.910939 (E_RNA)
where:
Base-Base interactions energy: -27.422
where: short stacking energy: -27.422
Base-Backbone interact. energy: -0.159
local terms energy: -68.329606
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -115.203389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.203389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.203389 (E_RNA)
where:
Base-Base interactions energy: -33.110
where: short stacking energy: -31.917
Base-Backbone interact. energy: -0.371
local terms energy: -81.722369
where:
bonds (distance) C4'-P energy: -24.966
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -10.095
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: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -272.110224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.110224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.110224 (E_RNA)
where:
Base-Base interactions energy: -152.558
where: short stacking energy: -97.548
Base-Backbone interact. energy: -0.005
local terms energy: -119.546886
where:
bonds (distance) C4'-P energy: -23.890
bonds (distance) P-C4' energy: -25.011
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -33.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -234.511831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.511831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.511831 (E_RNA)
where:
Base-Base interactions energy: -137.116
where: short stacking energy: -74.282
Base-Backbone interact. energy: -0.157
local terms energy: -97.239317
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -17.479
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: 314
Temperature: 1.000000
Total energy: -250.216481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.216481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.216481 (E_RNA)
where:
Base-Base interactions energy: -142.497
where: short stacking energy: -93.586
Base-Backbone interact. energy: 1.407
local terms energy: -109.126721
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -31.627
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: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -221.367248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.367248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.367248 (E_RNA)
where:
Base-Base interactions energy: -129.115
where: short stacking energy: -81.553
Base-Backbone interact. energy: -0.142
local terms energy: -92.110220
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -138.891240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.891240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.891240 (E_RNA)
where:
Base-Base interactions energy: -59.820
where: short stacking energy: -59.820
Base-Backbone interact. energy: 0.586
local terms energy: -79.656857
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -23.884
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -10.812
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: 6, replica: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -136.707813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.707813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.707813 (E_RNA)
where:
Base-Base interactions energy: -51.719
where: short stacking energy: -51.719
Base-Backbone interact. energy: -0.080
local terms energy: -84.909088
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -22.524
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -104.944792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.944792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.944792 (E_RNA)
where:
Base-Base interactions energy: -47.406
where: short stacking energy: -38.420
Base-Backbone interact. energy: -0.210
local terms energy: -57.329067
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: 2.131
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -113.219079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.219079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.219079 (E_RNA)
where:
Base-Base interactions energy: -42.751
where: short stacking energy: -41.075
Base-Backbone interact. energy: -0.103
local terms energy: -70.364940
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -20.779
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -4.822
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: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -101.270196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.270196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.270196 (E_RNA)
where:
Base-Base interactions energy: -33.926
where: short stacking energy: -32.171
Base-Backbone interact. energy: -0.296
local terms energy: -67.048095
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: 0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -105.907992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.907992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.907992 (E_RNA)
where:
Base-Base interactions energy: -42.907
where: short stacking energy: -36.447
Base-Backbone interact. energy: -0.879
local terms energy: -62.122823
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -4.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -275.255871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.255871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.255871 (E_RNA)
where:
Base-Base interactions energy: -163.198
where: short stacking energy: -114.885
Base-Backbone interact. energy: -0.018
local terms energy: -112.040314
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -33.409
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: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -227.946066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.946066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.946066 (E_RNA)
where:
Base-Base interactions energy: -128.517
where: short stacking energy: -84.533
Base-Backbone interact. energy: -0.198
local terms energy: -99.231403
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -23.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -228.074705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.074705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.074705 (E_RNA)
where:
Base-Base interactions energy: -126.673
where: short stacking energy: -78.008
Base-Backbone interact. energy: -0.441
local terms energy: -100.961653
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -21.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -215.973349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.973349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.973349 (E_RNA)
where:
Base-Base interactions energy: -122.750
where: short stacking energy: -78.941
Base-Backbone interact. energy: -0.426
local terms energy: -92.797643
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -24.853
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -16.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -146.407507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.407507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.407507 (E_RNA)
where:
Base-Base interactions energy: -58.033
where: short stacking energy: -47.883
Base-Backbone interact. energy: -0.371
local terms energy: -88.002873
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -125.454669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.454669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.454669 (E_RNA)
where:
Base-Base interactions energy: -50.864
where: short stacking energy: -42.408
Base-Backbone interact. energy: 0.389
local terms energy: -74.979532
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -23.433
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -114.074730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.074730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.074730 (E_RNA)
where:
Base-Base interactions energy: -37.822
where: short stacking energy: -37.822
Base-Backbone interact. energy: -0.015
local terms energy: -76.237762
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -20.034
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -114.003697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.003697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.003697 (E_RNA)
where:
Base-Base interactions energy: -48.921
where: short stacking energy: -46.092
Base-Backbone interact. energy: -0.220
local terms energy: -64.862371
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -7.595
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: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -107.098567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.098567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.098567 (E_RNA)
where:
Base-Base interactions energy: -34.720
where: short stacking energy: -34.124
Base-Backbone interact. energy: -0.103
local terms energy: -72.275740
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -9.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -98.205618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.205618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.205618 (E_RNA)
where:
Base-Base interactions energy: -27.931
where: short stacking energy: -27.931
Base-Backbone interact. energy: -0.477
local terms energy: -69.797821
where:
bonds (distance) C4'-P energy: -21.544
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: 1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -241.277855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.277855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.277855 (E_RNA)
where:
Base-Base interactions energy: -135.946
where: short stacking energy: -83.907
Base-Backbone interact. energy: -0.028
local terms energy: -105.304212
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -23.431
flat angles C4'-P-C4' energy: -24.990
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -23.577
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: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -263.704874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.704874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.704874 (E_RNA)
where:
Base-Base interactions energy: -155.122
where: short stacking energy: -98.798
Base-Backbone interact. energy: -0.077
local terms energy: -108.505952
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -24.699
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -31.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -205.917127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.917127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.917127 (E_RNA)
where:
Base-Base interactions energy: -116.424
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.445
local terms energy: -89.047436
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -216.579650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.579650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.579650 (E_RNA)
where:
Base-Base interactions energy: -125.434
where: short stacking energy: -71.059
Base-Backbone interact. energy: -0.101
local terms energy: -91.044984
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -14.315
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: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -145.117126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.117126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.117126 (E_RNA)
where:
Base-Base interactions energy: -62.396
where: short stacking energy: -61.610
Base-Backbone interact. energy: -0.075
local terms energy: -82.645773
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -12.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -125.074744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.074744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.074744 (E_RNA)
where:
Base-Base interactions energy: -59.211
where: short stacking energy: -51.488
Base-Backbone interact. energy: -0.136
local terms energy: -65.727515
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -2.815
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: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -153.786360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.786360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.786360 (E_RNA)
where:
Base-Base interactions energy: -75.239
where: short stacking energy: -59.740
Base-Backbone interact. energy: -0.209
local terms energy: -78.338246
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -18.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -113.976944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.976944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.976944 (E_RNA)
where:
Base-Base interactions energy: -39.186
where: short stacking energy: -38.161
Base-Backbone interact. energy: -0.012
local terms energy: -74.779047
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -4.931
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: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -98.906340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.906340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.906340 (E_RNA)
where:
Base-Base interactions energy: -35.269
where: short stacking energy: -24.633
Base-Backbone interact. energy: -0.533
local terms energy: -63.104546
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -97.737282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.737282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.737282 (E_RNA)
where:
Base-Base interactions energy: -23.349
where: short stacking energy: -23.243
Base-Backbone interact. energy: -0.252
local terms energy: -74.135720
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -21.772
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -248.240692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.240692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.240692 (E_RNA)
where:
Base-Base interactions energy: -142.475
where: short stacking energy: -91.681
Base-Backbone interact. energy: 0.008
local terms energy: -105.773083
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -25.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -244.865913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.865913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.865913 (E_RNA)
where:
Base-Base interactions energy: -141.853
where: short stacking energy: -93.102
Base-Backbone interact. energy: -0.040
local terms energy: -102.972375
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -23.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -224.593069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.593069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.593069 (E_RNA)
where:
Base-Base interactions energy: -126.730
where: short stacking energy: -70.536
Base-Backbone interact. energy: -0.463
local terms energy: -97.400292
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -216.704028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.704028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.704028 (E_RNA)
where:
Base-Base interactions energy: -130.306
where: short stacking energy: -75.911
Base-Backbone interact. energy: -0.392
local terms energy: -86.005884
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -16.229
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: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -140.663911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.663911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.663911 (E_RNA)
where:
Base-Base interactions energy: -54.293
where: short stacking energy: -52.679
Base-Backbone interact. energy: 0.366
local terms energy: -86.737451
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -154.633280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.633280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.633280 (E_RNA)
where:
Base-Base interactions energy: -79.156
where: short stacking energy: -48.402
Base-Backbone interact. energy: -0.077
local terms energy: -75.400094
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -5.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -126.013792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.013792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.013792 (E_RNA)
where:
Base-Base interactions energy: -44.959
where: short stacking energy: -44.959
Base-Backbone interact. energy: -0.084
local terms energy: -80.970132
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -115.952996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.952996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.952996 (E_RNA)
where:
Base-Base interactions energy: -56.987
where: short stacking energy: -48.604
Base-Backbone interact. energy: 0.019
local terms energy: -58.984718
where:
bonds (distance) C4'-P energy: -8.735
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -10.604
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: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -111.132172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.132172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.132172 (E_RNA)
where:
Base-Base interactions energy: -41.430
where: short stacking energy: -39.248
Base-Backbone interact. energy: -0.575
local terms energy: -69.127504
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -24.243
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: -4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -96.112209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.112209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.112209 (E_RNA)
where:
Base-Base interactions energy: -29.151
where: short stacking energy: -29.044
Base-Backbone interact. energy: 0.213
local terms energy: -67.175117
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -6.778
flat angles P-C4'-P energy: -16.371
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -246.622854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.622854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.622854 (E_RNA)
where:
Base-Base interactions energy: -137.960
where: short stacking energy: -88.566
Base-Backbone interact. energy: 0.396
local terms energy: -109.058863
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -24.453
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: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -240.345225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.345225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.345225 (E_RNA)
where:
Base-Base interactions energy: -129.213
where: short stacking energy: -81.318
Base-Backbone interact. energy: 0.272
local terms energy: -111.403438
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -18.432
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: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -224.561253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.561253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.561253 (E_RNA)
where:
Base-Base interactions energy: -123.973
where: short stacking energy: -76.309
Base-Backbone interact. energy: -0.017
local terms energy: -100.570691
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -24.817
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -224.074641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.074641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.074641 (E_RNA)
where:
Base-Base interactions energy: -133.582
where: short stacking energy: -70.037
Base-Backbone interact. energy: -0.195
local terms energy: -90.297379
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -19.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -133.396306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.396306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.396306 (E_RNA)
where:
Base-Base interactions energy: -73.077
where: short stacking energy: -60.192
Base-Backbone interact. energy: 1.418
local terms energy: -61.737663
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -8.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -123.251683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.251683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.251683 (E_RNA)
where:
Base-Base interactions energy: -53.136
where: short stacking energy: -47.512
Base-Backbone interact. energy: -0.134
local terms energy: -69.981475
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -7.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -122.750101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.750101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.750101 (E_RNA)
where:
Base-Base interactions energy: -51.036
where: short stacking energy: -51.036
Base-Backbone interact. energy: -0.127
local terms energy: -71.586723
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -7.721
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: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -120.116385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.116385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.116385 (E_RNA)
where:
Base-Base interactions energy: -41.402
where: short stacking energy: -40.245
Base-Backbone interact. energy: -0.180
local terms energy: -78.534383
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -10.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -122.696398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.696398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.696398 (E_RNA)
where:
Base-Base interactions energy: -53.580
where: short stacking energy: -35.771
Base-Backbone interact. energy: -0.226
local terms energy: -68.890431
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -9.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -117.303092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.303092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.303092 (E_RNA)
where:
Base-Base interactions energy: -40.019
where: short stacking energy: -37.223
Base-Backbone interact. energy: 0.237
local terms energy: -77.521334
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -263.405850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.405850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.405850 (E_RNA)
where:
Base-Base interactions energy: -146.269
where: short stacking energy: -88.919
Base-Backbone interact. energy: -0.087
local terms energy: -117.049803
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -18.866
tors. eta vs tors. theta energy: -31.021
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: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -224.827855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.827855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.827855 (E_RNA)
where:
Base-Base interactions energy: -124.417
where: short stacking energy: -74.742
Base-Backbone interact. energy: -0.364
local terms energy: -100.047073
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -20.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -198.989540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.989540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.989540 (E_RNA)
where:
Base-Base interactions energy: -105.322
where: short stacking energy: -62.215
Base-Backbone interact. energy: -0.280
local terms energy: -93.387578
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -17.239
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: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -223.884338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.884338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.884338 (E_RNA)
where:
Base-Base interactions energy: -130.055
where: short stacking energy: -74.373
Base-Backbone interact. energy: -0.240
local terms energy: -93.589403
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -19.210
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: 319
Temperature: 1.100000
Total energy: -142.510736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.510736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.510736 (E_RNA)
where:
Base-Base interactions energy: -48.231
where: short stacking energy: -45.488
Base-Backbone interact. energy: -0.128
local terms energy: -94.151896
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -24.030
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -11.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -144.942960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.942960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.942960 (E_RNA)
where:
Base-Base interactions energy: -66.303
where: short stacking energy: -46.195
Base-Backbone interact. energy: -0.089
local terms energy: -78.551011
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -11.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -107.634332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.634332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.634332 (E_RNA)
where:
Base-Base interactions energy: -40.617
where: short stacking energy: -34.080
Base-Backbone interact. energy: -0.291
local terms energy: -66.726581
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -0.121
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: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -113.479841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.479841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.479841 (E_RNA)
where:
Base-Base interactions energy: -53.401
where: short stacking energy: -44.390
Base-Backbone interact. energy: 3.080
local terms energy: -63.159507
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -6.769
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: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -105.821082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.821082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.821082 (E_RNA)
where:
Base-Base interactions energy: -31.796
where: short stacking energy: -25.331
Base-Backbone interact. energy: -0.091
local terms energy: -73.933601
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -2.118
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: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -93.978797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.978797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.978797 (E_RNA)
where:
Base-Base interactions energy: -27.790
where: short stacking energy: -27.389
Base-Backbone interact. energy: -0.187
local terms energy: -66.001634
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -5.926
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -269.450399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.450399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.450399 (E_RNA)
where:
Base-Base interactions energy: -158.525
where: short stacking energy: -101.495
Base-Backbone interact. energy: -0.129
local terms energy: -110.796089
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -21.720
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -31.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -219.136643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.136643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.136643 (E_RNA)
where:
Base-Base interactions energy: -118.266
where: short stacking energy: -73.852
Base-Backbone interact. energy: -0.031
local terms energy: -100.839606
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -17.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -219.963525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.963525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.963525 (E_RNA)
where:
Base-Base interactions energy: -125.222
where: short stacking energy: -69.182
Base-Backbone interact. energy: -0.144
local terms energy: -94.597108
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -23.125
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -19.403
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: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -202.597435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.597435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.597435 (E_RNA)
where:
Base-Base interactions energy: -109.548
where: short stacking energy: -68.700
Base-Backbone interact. energy: 0.356
local terms energy: -93.405323
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -25.334
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -138.614126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.614126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.614126 (E_RNA)
where:
Base-Base interactions energy: -63.495
where: short stacking energy: -45.820
Base-Backbone interact. energy: 0.614
local terms energy: -75.732962
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -20.018
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -9.405
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: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -116.495023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.495023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.495023 (E_RNA)
where:
Base-Base interactions energy: -35.199
where: short stacking energy: -35.199
Base-Backbone interact. energy: -0.117
local terms energy: -81.178712
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -7.721
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: 7, replica: 7
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -126.157802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.157802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.157802 (E_RNA)
where:
Base-Base interactions energy: -45.971
where: short stacking energy: -36.972
Base-Backbone interact. energy: -0.137
local terms energy: -80.049769
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -15.142
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: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -128.266496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.266496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.266496 (E_RNA)
where:
Base-Base interactions energy: -60.140
where: short stacking energy: -42.590
Base-Backbone interact. energy: 0.276
local terms energy: -68.402378
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -6.963
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: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -129.379915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.379915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.379915 (E_RNA)
where:
Base-Base interactions energy: -72.815
where: short stacking energy: -39.459
Base-Backbone interact. energy: -0.049
local terms energy: -56.516165
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -97.928416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.928416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.928416 (E_RNA)
where:
Base-Base interactions energy: -32.940
where: short stacking energy: -24.398
Base-Backbone interact. energy: 5.254
local terms energy: -70.242471
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -2.086
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: 9
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -270.666863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.666863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.666863 (E_RNA)
where:
Base-Base interactions energy: -155.289
where: short stacking energy: -102.180
Base-Backbone interact. energy: -0.030
local terms energy: -115.348454
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -25.220
flat angles C4'-P-C4' energy: -24.002
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -27.924
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: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -230.650683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.650683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.650683 (E_RNA)
where:
Base-Base interactions energy: -131.093
where: short stacking energy: -77.147
Base-Backbone interact. energy: -0.057
local terms energy: -99.500675
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -224.085408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.085408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.085408 (E_RNA)
where:
Base-Base interactions energy: -119.145
where: short stacking energy: -68.924
Base-Backbone interact. energy: -0.006
local terms energy: -104.933954
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -22.988
flat angles C4'-P-C4' energy: -25.963
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -186.457751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.457751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.457751 (E_RNA)
where:
Base-Base interactions energy: -96.636
where: short stacking energy: -56.444
Base-Backbone interact. energy: -0.186
local terms energy: -89.636009
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -23.064
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -11.601
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: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -135.342261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.342261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.342261 (E_RNA)
where:
Base-Base interactions energy: -51.662
where: short stacking energy: -51.662
Base-Backbone interact. energy: -0.101
local terms energy: -83.579667
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -9.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -115.738845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.738845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.738845 (E_RNA)
where:
Base-Base interactions energy: -49.585
where: short stacking energy: -49.585
Base-Backbone interact. energy: -0.255
local terms energy: -65.898859
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -109.246876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.246876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.246876 (E_RNA)
where:
Base-Base interactions energy: -43.057
where: short stacking energy: -29.663
Base-Backbone interact. energy: -0.661
local terms energy: -65.528871
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: 1.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -113.146139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.146139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.146139 (E_RNA)
where:
Base-Base interactions energy: -43.044
where: short stacking energy: -39.561
Base-Backbone interact. energy: -0.232
local terms energy: -69.869707
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -114.697784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.697784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.697784 (E_RNA)
where:
Base-Base interactions energy: -43.629
where: short stacking energy: -33.699
Base-Backbone interact. energy: -1.538
local terms energy: -69.530653
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -87.660955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.660955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.660955 (E_RNA)
where:
Base-Base interactions energy: -24.876
where: short stacking energy: -19.940
Base-Backbone interact. energy: -0.648
local terms energy: -62.136887
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -7.844
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: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -267.855748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.855748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.855748 (E_RNA)
where:
Base-Base interactions energy: -152.227
where: short stacking energy: -94.771
Base-Backbone interact. energy: -0.003
local terms energy: -115.625697
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -17.147
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: 2, replica: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -246.619690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.619690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.619690 (E_RNA)
where:
Base-Base interactions energy: -138.398
where: short stacking energy: -89.777
Base-Backbone interact. energy: -0.114
local terms energy: -108.108111
where:
bonds (distance) C4'-P energy: -24.342
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -26.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -230.433040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.433040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.433040 (E_RNA)
where:
Base-Base interactions energy: -140.608
where: short stacking energy: -78.591
Base-Backbone interact. energy: -0.116
local terms energy: -89.708669
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -7.116
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: 4, replica: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -186.870554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.870554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.870554 (E_RNA)
where:
Base-Base interactions energy: -106.471
where: short stacking energy: -60.280
Base-Backbone interact. energy: 1.887
local terms energy: -82.286810
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -10.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -135.703471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.703471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.703471 (E_RNA)
where:
Base-Base interactions energy: -51.076
where: short stacking energy: -46.020
Base-Backbone interact. energy: -0.063
local terms energy: -84.564484
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -14.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -117.596611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.596611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.596611 (E_RNA)
where:
Base-Base interactions energy: -43.435
where: short stacking energy: -43.435
Base-Backbone interact. energy: -0.335
local terms energy: -73.825939
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -7.288
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: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -122.338859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.338859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.338859 (E_RNA)
where:
Base-Base interactions energy: -43.380
where: short stacking energy: -41.696
Base-Backbone interact. energy: 0.224
local terms energy: -79.182765
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -21.943
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -5.986
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: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -115.499914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.499914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.499914 (E_RNA)
where:
Base-Base interactions energy: -37.956
where: short stacking energy: -37.956
Base-Backbone interact. energy: -0.083
local terms energy: -77.461324
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -7.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -112.384967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.384967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.384967 (E_RNA)
where:
Base-Base interactions energy: -41.546
where: short stacking energy: -41.546
Base-Backbone interact. energy: -0.105
local terms energy: -70.733967
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -12.522
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: 322
Temperature: 1.350000
Total energy: -110.138228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.138228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.138228 (E_RNA)
where:
Base-Base interactions energy: -42.050
where: short stacking energy: -40.648
Base-Backbone interact. energy: -0.017
local terms energy: -68.071261
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -10.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -275.357598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.357598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.357598 (E_RNA)
where:
Base-Base interactions energy: -154.157
where: short stacking energy: -100.875
Base-Backbone interact. energy: -0.006
local terms energy: -121.195190
where:
bonds (distance) C4'-P energy: -23.795
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -26.473
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -32.932
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: 2, replica: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -246.644969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.644969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.644969 (E_RNA)
where:
Base-Base interactions energy: -140.903
where: short stacking energy: -90.983
Base-Backbone interact. energy: -0.100
local terms energy: -105.641155
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -27.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -231.566331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.566331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.566331 (E_RNA)
where:
Base-Base interactions energy: -140.367
where: short stacking energy: -75.713
Base-Backbone interact. energy: -0.267
local terms energy: -90.932312
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -189.091861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.091861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.091861 (E_RNA)
where:
Base-Base interactions energy: -113.441
where: short stacking energy: -62.179
Base-Backbone interact. energy: -0.490
local terms energy: -75.161509
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -7.853
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: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -135.899726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.899726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.899726 (E_RNA)
where:
Base-Base interactions energy: -54.941
where: short stacking energy: -54.941
Base-Backbone interact. energy: -0.289
local terms energy: -80.669822
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -129.313765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.313765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.313765 (E_RNA)
where:
Base-Base interactions energy: -45.372
where: short stacking energy: -45.372
Base-Backbone interact. energy: 1.149
local terms energy: -85.090923
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -114.671196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.671196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.671196 (E_RNA)
where:
Base-Base interactions energy: -34.937
where: short stacking energy: -34.567
Base-Backbone interact. energy: -0.286
local terms energy: -79.448639
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -21.814
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -116.789402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.789402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.789402 (E_RNA)
where:
Base-Base interactions energy: -49.984
where: short stacking energy: -35.676
Base-Backbone interact. energy: -0.250
local terms energy: -66.555311
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -24.342
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -102.097523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.097523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.097523 (E_RNA)
where:
Base-Base interactions energy: -34.275
where: short stacking energy: -34.275
Base-Backbone interact. energy: -0.005
local terms energy: -67.817649
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -6.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -95.725492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.725492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.725492 (E_RNA)
where:
Base-Base interactions energy: -37.523
where: short stacking energy: -37.523
Base-Backbone interact. energy: -0.070
local terms energy: -58.132060
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -262.509507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.509507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.509507 (E_RNA)
where:
Base-Base interactions energy: -146.365
where: short stacking energy: -93.941
Base-Backbone interact. energy: -0.031
local terms energy: -116.113682
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -31.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -230.294354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.294354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.294354 (E_RNA)
where:
Base-Base interactions energy: -128.663
where: short stacking energy: -87.235
Base-Backbone interact. energy: -0.019
local terms energy: -101.612421
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -27.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -247.040402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.040402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.040402 (E_RNA)
where:
Base-Base interactions energy: -147.576
where: short stacking energy: -84.202
Base-Backbone interact. energy: -0.287
local terms energy: -99.178131
where:
bonds (distance) C4'-P energy: -21.851
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -20.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -209.115984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.115984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.115984 (E_RNA)
where:
Base-Base interactions energy: -116.253
where: short stacking energy: -75.498
Base-Backbone interact. energy: -0.320
local terms energy: -92.542172
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -138.059902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.059902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.059902 (E_RNA)
where:
Base-Base interactions energy: -58.004
where: short stacking energy: -57.052
Base-Backbone interact. energy: -1.104
local terms energy: -78.951912
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -118.767649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.767649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.767649 (E_RNA)
where:
Base-Base interactions energy: -43.802
where: short stacking energy: -43.802
Base-Backbone interact. energy: 1.297
local terms energy: -76.263214
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -123.496784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.496784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.496784 (E_RNA)
where:
Base-Base interactions energy: -55.163
where: short stacking energy: -53.266
Base-Backbone interact. energy: -0.143
local terms energy: -68.190994
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -138.629243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.629243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.629243 (E_RNA)
where:
Base-Base interactions energy: -61.179
where: short stacking energy: -50.538
Base-Backbone interact. energy: -0.172
local terms energy: -77.278482
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -9.781
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: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -119.062914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.062914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.062914 (E_RNA)
where:
Base-Base interactions energy: -40.601
where: short stacking energy: -40.049
Base-Backbone interact. energy: -0.012
local terms energy: -78.450249
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -14.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -107.596652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.596652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.596652 (E_RNA)
where:
Base-Base interactions energy: -43.937
where: short stacking energy: -38.383
Base-Backbone interact. energy: -0.307
local terms energy: -63.352777
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -3.464
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: 1, replica: 9
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -270.175201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.175201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.175201 (E_RNA)
where:
Base-Base interactions energy: -155.865
where: short stacking energy: -100.787
Base-Backbone interact. energy: -0.088
local terms energy: -114.221864
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -23.331
flat angles P-C4'-P energy: -17.490
tors. eta vs tors. theta energy: -30.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -264.641586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.641586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.641586 (E_RNA)
where:
Base-Base interactions energy: -154.645
where: short stacking energy: -88.122
Base-Backbone interact. energy: -1.090
local terms energy: -108.906499
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -28.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -232.158687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.158687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.158687 (E_RNA)
where:
Base-Base interactions energy: -133.310
where: short stacking energy: -83.969
Base-Backbone interact. energy: 0.055
local terms energy: -98.903984
where:
bonds (distance) C4'-P energy: -20.802
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -201.925878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.925878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.925878 (E_RNA)
where:
Base-Base interactions energy: -111.974
where: short stacking energy: -69.899
Base-Backbone interact. energy: -0.029
local terms energy: -89.922605
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -22.171
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -19.300
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: 5, replica: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -140.639966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.639966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.639966 (E_RNA)
where:
Base-Base interactions energy: -63.098
where: short stacking energy: -63.098
Base-Backbone interact. energy: -0.054
local terms energy: -77.487736
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -12.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -127.387878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.387878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.387878 (E_RNA)
where:
Base-Base interactions energy: -47.194
where: short stacking energy: -43.689
Base-Backbone interact. energy: -0.023
local terms energy: -80.171419
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -135.448348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.448348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.448348 (E_RNA)
where:
Base-Base interactions energy: -59.009
where: short stacking energy: -43.698
Base-Backbone interact. energy: -0.342
local terms energy: -76.096520
where:
bonds (distance) C4'-P energy: -25.348
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -112.616250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.616250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.616250 (E_RNA)
where:
Base-Base interactions energy: -37.177
where: short stacking energy: -37.177
Base-Backbone interact. energy: -0.099
local terms energy: -75.340345
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -7.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -98.493380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.493380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.493380 (E_RNA)
where:
Base-Base interactions energy: -40.240
where: short stacking energy: -40.840
Base-Backbone interact. energy: -0.206
local terms energy: -58.047530
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -8.549
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -105.277148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.277148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.277148 (E_RNA)
where:
Base-Base interactions energy: -29.932
where: short stacking energy: -29.932
Base-Backbone interact. energy: -0.237
local terms energy: -75.108414
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -269.582348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.582348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.582348 (E_RNA)
where:
Base-Base interactions energy: -158.541
where: short stacking energy: -101.651
Base-Backbone interact. energy: -0.305
local terms energy: -110.737128
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -23.686
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -28.747
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: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -239.430571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.430571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.430571 (E_RNA)
where:
Base-Base interactions energy: -141.484
where: short stacking energy: -75.606
Base-Backbone interact. energy: -2.047
local terms energy: -95.899798
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -223.187491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.187491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.187491 (E_RNA)
where:
Base-Base interactions energy: -125.153
where: short stacking energy: -78.058
Base-Backbone interact. energy: -0.055
local terms energy: -97.979253
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -22.715
flat angles P-C4'-P energy: -11.589
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: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -207.421881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.421881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.421881 (E_RNA)
where:
Base-Base interactions energy: -121.471
where: short stacking energy: -73.023
Base-Backbone interact. energy: 0.177
local terms energy: -86.127534
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -19.422
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: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -140.354589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.354589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.354589 (E_RNA)
where:
Base-Base interactions energy: -71.517
where: short stacking energy: -60.960
Base-Backbone interact. energy: 0.784
local terms energy: -69.621498
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -114.089459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.089459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.089459 (E_RNA)
where:
Base-Base interactions energy: -45.662
where: short stacking energy: -45.662
Base-Backbone interact. energy: -0.332
local terms energy: -68.095903
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -117.122369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.122369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.122369 (E_RNA)
where:
Base-Base interactions energy: -52.010
where: short stacking energy: -51.758
Base-Backbone interact. energy: 0.446
local terms energy: -65.558798
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: 0.088
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -113.173552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.173552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.173552 (E_RNA)
where:
Base-Base interactions energy: -35.316
where: short stacking energy: -34.782
Base-Backbone interact. energy: -0.142
local terms energy: -77.716462
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -126.074354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.074354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.074354 (E_RNA)
where:
Base-Base interactions energy: -56.999
where: short stacking energy: -42.745
Base-Backbone interact. energy: -0.135
local terms energy: -68.940145
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -5.641
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: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -125.362156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.362156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.362156 (E_RNA)
where:
Base-Base interactions energy: -48.042
where: short stacking energy: -47.363
Base-Backbone interact. energy: -0.082
local terms energy: -77.238484
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -20.098
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -11.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -258.728304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.728304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.728304 (E_RNA)
where:
Base-Base interactions energy: -148.470
where: short stacking energy: -90.385
Base-Backbone interact. energy: -0.022
local terms energy: -110.236700
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -25.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -244.584574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.584574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.584574 (E_RNA)
where:
Base-Base interactions energy: -138.011
where: short stacking energy: -82.752
Base-Backbone interact. energy: 0.471
local terms energy: -107.044558
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -24.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -220.084442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.084442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.084442 (E_RNA)
where:
Base-Base interactions energy: -117.026
where: short stacking energy: -80.441
Base-Backbone interact. energy: -0.106
local terms energy: -102.952048
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -16.836
tors. eta vs tors. theta energy: -22.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -203.394113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.394113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.394113 (E_RNA)
where:
Base-Base interactions energy: -107.426
where: short stacking energy: -66.286
Base-Backbone interact. energy: -0.630
local terms energy: -95.338165
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -16.377
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -132.929644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.929644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.929644 (E_RNA)
where:
Base-Base interactions energy: -55.328
where: short stacking energy: -55.328
Base-Backbone interact. energy: 1.329
local terms energy: -78.930587
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -134.765779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.765779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.765779 (E_RNA)
where:
Base-Base interactions energy: -55.032
where: short stacking energy: -50.857
Base-Backbone interact. energy: -0.540
local terms energy: -79.193909
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -10.075
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: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -110.069326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.069326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.069326 (E_RNA)
where:
Base-Base interactions energy: -35.369
where: short stacking energy: -33.194
Base-Backbone interact. energy: -0.015
local terms energy: -74.685504
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -133.194098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.194098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.194098 (E_RNA)
where:
Base-Base interactions energy: -59.963
where: short stacking energy: -42.149
Base-Backbone interact. energy: -0.094
local terms energy: -73.137210
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -14.569
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: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -113.829203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.829203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.829203 (E_RNA)
where:
Base-Base interactions energy: -45.261
where: short stacking energy: -45.261
Base-Backbone interact. energy: -0.772
local terms energy: -67.796070
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -6.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -88.473770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.473770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.473770 (E_RNA)
where:
Base-Base interactions energy: -27.528
where: short stacking energy: -27.528
Base-Backbone interact. energy: -0.249
local terms energy: -60.696582
where:
bonds (distance) C4'-P energy: -6.064
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -21.480
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: 0.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -265.088071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.088071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.088071 (E_RNA)
where:
Base-Base interactions energy: -158.074
where: short stacking energy: -96.147
Base-Backbone interact. energy: -0.079
local terms energy: -106.934994
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -26.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -249.754536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.754536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.754536 (E_RNA)
where:
Base-Base interactions energy: -151.120
where: short stacking energy: -90.579
Base-Backbone interact. energy: 0.298
local terms energy: -98.932596
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -24.199
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: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -222.926833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.926833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.926833 (E_RNA)
where:
Base-Base interactions energy: -130.227
where: short stacking energy: -89.158
Base-Backbone interact. energy: -0.177
local terms energy: -92.522142
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -19.282
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: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -205.934619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.934619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.934619 (E_RNA)
where:
Base-Base interactions energy: -115.996
where: short stacking energy: -68.804
Base-Backbone interact. energy: 0.211
local terms energy: -90.149935
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -147.982143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.982143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.982143 (E_RNA)
where:
Base-Base interactions energy: -61.098
where: short stacking energy: -60.649
Base-Backbone interact. energy: 0.448
local terms energy: -87.332360
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -128.217703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.217703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.217703 (E_RNA)
where:
Base-Base interactions energy: -45.831
where: short stacking energy: -45.831
Base-Backbone interact. energy: -0.198
local terms energy: -82.188579
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -16.470
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: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -122.220262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.220262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.220262 (E_RNA)
where:
Base-Base interactions energy: -49.317
where: short stacking energy: -48.897
Base-Backbone interact. energy: -0.391
local terms energy: -72.512716
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -8.016
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: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -104.704145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.704145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.704145 (E_RNA)
where:
Base-Base interactions energy: -30.639
where: short stacking energy: -30.639
Base-Backbone interact. energy: -0.217
local terms energy: -73.847888
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -100.854967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.854967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.854967 (E_RNA)
where:
Base-Base interactions energy: -32.141
where: short stacking energy: -31.200
Base-Backbone interact. energy: -0.331
local terms energy: -68.383106
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -20.357
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -11.228
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: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -91.045988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.045988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.045988 (E_RNA)
where:
Base-Base interactions energy: -31.978
where: short stacking energy: -30.039
Base-Backbone interact. energy: 0.406
local terms energy: -59.474087
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -256.732110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.732110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.732110 (E_RNA)
where:
Base-Base interactions energy: -149.222
where: short stacking energy: -92.823
Base-Backbone interact. energy: -0.133
local terms energy: -107.376949
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -23.527
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -24.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -232.421304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.421304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.421304 (E_RNA)
where:
Base-Base interactions energy: -132.324
where: short stacking energy: -89.333
Base-Backbone interact. energy: -0.023
local terms energy: -100.074390
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -23.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -238.086053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.086053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.086053 (E_RNA)
where:
Base-Base interactions energy: -137.348
where: short stacking energy: -82.360
Base-Backbone interact. energy: -0.352
local terms energy: -100.386065
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -12.679
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: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -142.263533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.263533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.263533 (E_RNA)
where:
Base-Base interactions energy: -59.634
where: short stacking energy: -54.898
Base-Backbone interact. energy: -0.119
local terms energy: -82.511122
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -194.410219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.410219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.410219 (E_RNA)
where:
Base-Base interactions energy: -109.282
where: short stacking energy: -67.669
Base-Backbone interact. energy: 0.008
local terms energy: -85.137122
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -155.471155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.471155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.471155 (E_RNA)
where:
Base-Base interactions energy: -71.033
where: short stacking energy: -61.157
Base-Backbone interact. energy: 1.229
local terms energy: -85.666972
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -15.608
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: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -108.013493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.013493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.013493 (E_RNA)
where:
Base-Base interactions energy: -34.197
where: short stacking energy: -34.197
Base-Backbone interact. energy: -0.075
local terms energy: -73.742018
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -113.586009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.586009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.586009 (E_RNA)
where:
Base-Base interactions energy: -41.148
where: short stacking energy: -41.148
Base-Backbone interact. energy: 0.097
local terms energy: -72.534326
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -123.730898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.730898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.730898 (E_RNA)
where:
Base-Base interactions energy: -50.478
where: short stacking energy: -45.089
Base-Backbone interact. energy: 0.391
local terms energy: -73.643962
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -7.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -101.147797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.147797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.147797 (E_RNA)
where:
Base-Base interactions energy: -33.238
where: short stacking energy: -33.238
Base-Backbone interact. energy: -0.231
local terms energy: -67.678383
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -274.936656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.936656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.936656 (E_RNA)
where:
Base-Base interactions energy: -165.336
where: short stacking energy: -97.310
Base-Backbone interact. energy: -0.194
local terms energy: -109.406363
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -22.783
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -26.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -229.265205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.265205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.265205 (E_RNA)
where:
Base-Base interactions energy: -133.520
where: short stacking energy: -88.806
Base-Backbone interact. energy: -0.008
local terms energy: -95.737180
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -16.708
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: 3, replica: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -235.395342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.395342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.395342 (E_RNA)
where:
Base-Base interactions energy: -136.734
where: short stacking energy: -79.544
Base-Backbone interact. energy: -0.107
local terms energy: -98.554977
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -13.585
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: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -147.546719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.546719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.546719 (E_RNA)
where:
Base-Base interactions energy: -64.181
where: short stacking energy: -64.181
Base-Backbone interact. energy: 1.158
local terms energy: -84.523636
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -17.825
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: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -205.772736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.772736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.772736 (E_RNA)
where:
Base-Base interactions energy: -110.731
where: short stacking energy: -75.075
Base-Backbone interact. energy: -0.190
local terms energy: -94.851406
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -13.892
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: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -128.359488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.359488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.359488 (E_RNA)
where:
Base-Base interactions energy: -61.652
where: short stacking energy: -40.859
Base-Backbone interact. energy: -0.251
local terms energy: -66.456677
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: 0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -132.848045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.848045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.848045 (E_RNA)
where:
Base-Base interactions energy: -53.963
where: short stacking energy: -49.729
Base-Backbone interact. energy: 0.253
local terms energy: -79.138028
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -12.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -121.453366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.453366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.453366 (E_RNA)
where:
Base-Base interactions energy: -51.586
where: short stacking energy: -47.055
Base-Backbone interact. energy: -0.223
local terms energy: -69.645070
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -102.718435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.718435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.718435 (E_RNA)
where:
Base-Base interactions energy: -34.017
where: short stacking energy: -32.156
Base-Backbone interact. energy: -0.371
local terms energy: -68.329897
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -86.489345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.489345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.489345 (E_RNA)
where:
Base-Base interactions energy: -17.826
where: short stacking energy: -16.500
Base-Backbone interact. energy: -0.424
local terms energy: -68.239509
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -255.187121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.187121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.187121 (E_RNA)
where:
Base-Base interactions energy: -157.464
where: short stacking energy: -90.100
Base-Backbone interact. energy: 1.113
local terms energy: -98.836402
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -239.987933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.987933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.987933 (E_RNA)
where:
Base-Base interactions energy: -142.447
where: short stacking energy: -95.535
Base-Backbone interact. energy: -1.115
local terms energy: -96.425449
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -20.644
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -27.114
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: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -247.169330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.169330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.169330 (E_RNA)
where:
Base-Base interactions energy: -144.178
where: short stacking energy: -87.711
Base-Backbone interact. energy: -0.034
local terms energy: -102.957979
where:
bonds (distance) C4'-P energy: -20.975
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -18.023
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: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -195.734351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.734351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.734351 (E_RNA)
where:
Base-Base interactions energy: -112.325
where: short stacking energy: -68.816
Base-Backbone interact. energy: -0.117
local terms energy: -83.291989
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -156.624869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.624869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.624869 (E_RNA)
where:
Base-Base interactions energy: -66.132
where: short stacking energy: -66.132
Base-Backbone interact. energy: 0.960
local terms energy: -91.452704
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -145.500156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.500156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.500156 (E_RNA)
where:
Base-Base interactions energy: -65.298
where: short stacking energy: -47.235
Base-Backbone interact. energy: -0.087
local terms energy: -80.115212
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -116.165590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.165590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.165590 (E_RNA)
where:
Base-Base interactions energy: -49.902
where: short stacking energy: -32.484
Base-Backbone interact. energy: -0.297
local terms energy: -65.965945
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -22.724
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -11.215
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: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -117.606603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.606603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.606603 (E_RNA)
where:
Base-Base interactions energy: -44.175
where: short stacking energy: -44.175
Base-Backbone interact. energy: -0.074
local terms energy: -73.357394
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: 1.328
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -103.539830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.539830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.539830 (E_RNA)
where:
Base-Base interactions energy: -35.042
where: short stacking energy: -35.042
Base-Backbone interact. energy: -0.541
local terms energy: -67.957369
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -102.435721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.435721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.435721 (E_RNA)
where:
Base-Base interactions energy: -31.801
where: short stacking energy: -29.155
Base-Backbone interact. energy: -0.096
local terms energy: -70.538571
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -246.355412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.355412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.355412 (E_RNA)
where:
Base-Base interactions energy: -148.847
where: short stacking energy: -94.603
Base-Backbone interact. energy: -0.071
local terms energy: -97.437527
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -25.049
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: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -229.979112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.979112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.979112 (E_RNA)
where:
Base-Base interactions energy: -140.322
where: short stacking energy: -79.319
Base-Backbone interact. energy: -0.345
local terms energy: -89.311800
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -241.879091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.879091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.879091 (E_RNA)
where:
Base-Base interactions energy: -139.523
where: short stacking energy: -86.093
Base-Backbone interact. energy: -0.028
local terms energy: -102.327864
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -25.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -214.134920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.134920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.134920 (E_RNA)
where:
Base-Base interactions energy: -117.905
where: short stacking energy: -69.422
Base-Backbone interact. energy: -0.086
local terms energy: -96.143878
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -23.602
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: 332
Temperature: 1.100000
Total energy: -151.335554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.335554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.335554 (E_RNA)
where:
Base-Base interactions energy: -72.208
where: short stacking energy: -53.106
Base-Backbone interact. energy: 2.108
local terms energy: -81.234961
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -25.756
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -136.899159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.899159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.899159 (E_RNA)
where:
Base-Base interactions energy: -63.248
where: short stacking energy: -60.757
Base-Backbone interact. energy: 0.020
local terms energy: -73.670561
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -13.486
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: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -107.896596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.896596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.896596 (E_RNA)
where:
Base-Base interactions energy: -44.638
where: short stacking energy: -40.751
Base-Backbone interact. energy: -0.179
local terms energy: -63.079693
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -4.575
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: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -103.941832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.941832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.941832 (E_RNA)
where:
Base-Base interactions energy: -32.130
where: short stacking energy: -32.130
Base-Backbone interact. energy: -0.218
local terms energy: -71.593707
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: 0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -107.073240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.073240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.073240 (E_RNA)
where:
Base-Base interactions energy: -43.209
where: short stacking energy: -42.778
Base-Backbone interact. energy: 2.018
local terms energy: -65.882733
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -109.908567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.908567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.908567 (E_RNA)
where:
Base-Base interactions energy: -37.616
where: short stacking energy: -37.616
Base-Backbone interact. energy: -0.043
local terms energy: -72.249372
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -240.142616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.142616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.142616 (E_RNA)
where:
Base-Base interactions energy: -146.010
where: short stacking energy: -84.178
Base-Backbone interact. energy: -0.082
local terms energy: -94.050897
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -23.664
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -253.752800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.752800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.752800 (E_RNA)
where:
Base-Base interactions energy: -149.679
where: short stacking energy: -92.783
Base-Backbone interact. energy: -0.953
local terms energy: -103.120754
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -25.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -249.078623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.078623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.078623 (E_RNA)
where:
Base-Base interactions energy: -140.924
where: short stacking energy: -82.950
Base-Backbone interact. energy: -0.809
local terms energy: -107.345183
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -28.625
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: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -222.322976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.322976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.322976 (E_RNA)
where:
Base-Base interactions energy: -125.356
where: short stacking energy: -81.853
Base-Backbone interact. energy: 1.216
local terms energy: -98.182909
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -25.988
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: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -134.743650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.743650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.743650 (E_RNA)
where:
Base-Base interactions energy: -55.804
where: short stacking energy: -54.316
Base-Backbone interact. energy: -0.130
local terms energy: -78.809736
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -20.833
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -9.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -129.465931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.465931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.465931 (E_RNA)
where:
Base-Base interactions energy: -56.639
where: short stacking energy: -52.265
Base-Backbone interact. energy: 2.684
local terms energy: -75.511574
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -9.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -136.337352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.337352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.337352 (E_RNA)
where:
Base-Base interactions energy: -63.680
where: short stacking energy: -44.811
Base-Backbone interact. energy: -0.024
local terms energy: -72.633430
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -104.797487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.797487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.797487 (E_RNA)
where:
Base-Base interactions energy: -47.110
where: short stacking energy: -27.878
Base-Backbone interact. energy: -0.206
local terms energy: -57.482262
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: 2.625
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: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -97.725436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.725436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.725436 (E_RNA)
where:
Base-Base interactions energy: -32.765
where: short stacking energy: -32.765
Base-Backbone interact. energy: -0.043
local terms energy: -64.917223
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -1.900
tors. eta vs tors. theta energy: -5.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -99.297042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.297042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.297042 (E_RNA)
where:
Base-Base interactions energy: -32.641
where: short stacking energy: -32.641
Base-Backbone interact. energy: -0.149
local terms energy: -66.506969
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -247.211743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.211743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.211743 (E_RNA)
where:
Base-Base interactions energy: -144.060
where: short stacking energy: -83.674
Base-Backbone interact. energy: -0.030
local terms energy: -103.121338
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -10.574
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: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -227.622259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.622259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.622259 (E_RNA)
where:
Base-Base interactions energy: -131.401
where: short stacking energy: -88.485
Base-Backbone interact. energy: 0.456
local terms energy: -96.676949
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -24.443
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: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -253.534033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.534033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.534033 (E_RNA)
where:
Base-Base interactions energy: -149.398
where: short stacking energy: -90.246
Base-Backbone interact. energy: -0.001
local terms energy: -104.134935
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -16.044
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: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -201.282643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.282643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.282643 (E_RNA)
where:
Base-Base interactions energy: -105.569
where: short stacking energy: -66.870
Base-Backbone interact. energy: -0.090
local terms energy: -95.623770
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -18.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -139.988568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.988568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.988568 (E_RNA)
where:
Base-Base interactions energy: -51.448
where: short stacking energy: -51.084
Base-Backbone interact. energy: -2.177
local terms energy: -86.363544
where:
bonds (distance) C4'-P energy: -22.045
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -124.725644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.725644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.725644 (E_RNA)
where:
Base-Base interactions energy: -45.854
where: short stacking energy: -45.854
Base-Backbone interact. energy: 0.089
local terms energy: -78.960943
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -120.193819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.193819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.193819 (E_RNA)
where:
Base-Base interactions energy: -52.081
where: short stacking energy: -39.909
Base-Backbone interact. energy: 0.078
local terms energy: -68.191123
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -112.806130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.806130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.806130 (E_RNA)
where:
Base-Base interactions energy: -51.235
where: short stacking energy: -51.235
Base-Backbone interact. energy: -0.021
local terms energy: -61.549655
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -103.664885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.664885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.664885 (E_RNA)
where:
Base-Base interactions energy: -29.142
where: short stacking energy: -26.812
Base-Backbone interact. energy: 0.364
local terms energy: -74.887132
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -101.164854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.164854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.164854 (E_RNA)
where:
Base-Base interactions energy: -39.207
where: short stacking energy: -37.688
Base-Backbone interact. energy: 1.746
local terms energy: -63.703855
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -19.050
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: 1.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -241.909092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.909092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.909092 (E_RNA)
where:
Base-Base interactions energy: -136.047
where: short stacking energy: -74.630
Base-Backbone interact. energy: -0.105
local terms energy: -105.756740
where:
bonds (distance) C4'-P energy: -25.475
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -239.908839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.908839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.908839 (E_RNA)
where:
Base-Base interactions energy: -150.142
where: short stacking energy: -87.603
Base-Backbone interact. energy: 0.817
local terms energy: -90.583633
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -25.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -222.141616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.141616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.141616 (E_RNA)
where:
Base-Base interactions energy: -128.633
where: short stacking energy: -81.804
Base-Backbone interact. energy: -0.762
local terms energy: -92.747059
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -19.062
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: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -205.435490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.435490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.435490 (E_RNA)
where:
Base-Base interactions energy: -114.467
where: short stacking energy: -70.668
Base-Backbone interact. energy: 1.817
local terms energy: -92.785937
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -23.643
flat angles P-C4'-P energy: -10.887
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: 5, replica: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -132.509625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.509625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.509625 (E_RNA)
where:
Base-Base interactions energy: -54.181
where: short stacking energy: -30.243
Base-Backbone interact. energy: -0.416
local terms energy: -77.912466
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -116.964131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.964131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.964131 (E_RNA)
where:
Base-Base interactions energy: -40.199
where: short stacking energy: -37.399
Base-Backbone interact. energy: -0.038
local terms energy: -76.727299
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -124.812372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.812372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.812372 (E_RNA)
where:
Base-Base interactions energy: -42.918
where: short stacking energy: -31.491
Base-Backbone interact. energy: -0.040
local terms energy: -81.854525
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -112.929007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.929007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.929007 (E_RNA)
where:
Base-Base interactions energy: -37.364
where: short stacking energy: -37.564
Base-Backbone interact. energy: 1.496
local terms energy: -77.061396
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -12.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -110.133277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.133277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.133277 (E_RNA)
where:
Base-Base interactions energy: -43.405
where: short stacking energy: -43.405
Base-Backbone interact. energy: 1.712
local terms energy: -68.440314
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -7.904
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: 335
Temperature: 1.350000
Total energy: -110.689569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.689569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.689569 (E_RNA)
where:
Base-Base interactions energy: -42.508
where: short stacking energy: -42.508
Base-Backbone interact. energy: -0.070
local terms energy: -68.111388
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -7.968
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: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -261.140962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.140962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.140962 (E_RNA)
where:
Base-Base interactions energy: -149.011
where: short stacking energy: -89.767
Base-Backbone interact. energy: -0.104
local terms energy: -112.025553
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -19.408
tors. eta vs tors. theta energy: -30.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -241.774478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.774478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.774478 (E_RNA)
where:
Base-Base interactions energy: -146.937
where: short stacking energy: -86.634
Base-Backbone interact. energy: -0.159
local terms energy: -94.678662
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -23.897
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: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -212.320572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.320572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.320572 (E_RNA)
where:
Base-Base interactions energy: -128.708
where: short stacking energy: -79.487
Base-Backbone interact. energy: -0.255
local terms energy: -83.357804
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -221.837268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.837268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.837268 (E_RNA)
where:
Base-Base interactions energy: -127.204
where: short stacking energy: -76.387
Base-Backbone interact. energy: -0.027
local terms energy: -94.605436
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -25.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -133.251295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.251295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.251295 (E_RNA)
where:
Base-Base interactions energy: -56.566
where: short stacking energy: -32.296
Base-Backbone interact. energy: -0.206
local terms energy: -76.479017
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -3.637
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: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -122.091134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.091134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.091134 (E_RNA)
where:
Base-Base interactions energy: -55.211
where: short stacking energy: -53.020
Base-Backbone interact. energy: 0.351
local terms energy: -67.231268
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -117.185694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.185694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.185694 (E_RNA)
where:
Base-Base interactions energy: -37.862
where: short stacking energy: -26.285
Base-Backbone interact. energy: -0.085
local terms energy: -79.238629
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -123.368052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.368052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.368052 (E_RNA)
where:
Base-Base interactions energy: -51.777
where: short stacking energy: -39.694
Base-Backbone interact. energy: 1.037
local terms energy: -72.628474
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -21.055
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -101.228796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.228796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.228796 (E_RNA)
where:
Base-Base interactions energy: -32.500
where: short stacking energy: -32.500
Base-Backbone interact. energy: 0.529
local terms energy: -69.257541
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -21.742
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -93.974072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.974072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.974072 (E_RNA)
where:
Base-Base interactions energy: -24.029
where: short stacking energy: -20.832
Base-Backbone interact. energy: -0.167
local terms energy: -69.777624
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -1.689
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: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -267.206961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.206961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.206961 (E_RNA)
where:
Base-Base interactions energy: -155.654
where: short stacking energy: -95.491
Base-Backbone interact. energy: 1.716
local terms energy: -113.269437
where:
bonds (distance) C4'-P energy: -21.243
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -30.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -246.494549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.494549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.494549 (E_RNA)
where:
Base-Base interactions energy: -146.011
where: short stacking energy: -94.160
Base-Backbone interact. energy: -0.021
local terms energy: -100.462873
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -26.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -248.851649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.851649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.851649 (E_RNA)
where:
Base-Base interactions energy: -148.307
where: short stacking energy: -93.480
Base-Backbone interact. energy: -0.017
local terms energy: -100.526935
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -22.356
flat angles P-C4'-P energy: -11.908
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: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -214.103390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.103390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.103390 (E_RNA)
where:
Base-Base interactions energy: -123.337
where: short stacking energy: -76.076
Base-Backbone interact. energy: -0.172
local terms energy: -90.594219
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -22.233
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -23.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -143.596981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.596981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.596981 (E_RNA)
where:
Base-Base interactions energy: -58.102
where: short stacking energy: -49.499
Base-Backbone interact. energy: -0.133
local terms energy: -85.361907
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -120.518512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.518512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.518512 (E_RNA)
where:
Base-Base interactions energy: -45.109
where: short stacking energy: -40.335
Base-Backbone interact. energy: -0.235
local terms energy: -75.174324
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -22.146
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -5.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -115.405176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.405176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.405176 (E_RNA)
where:
Base-Base interactions energy: -43.166
where: short stacking energy: -31.308
Base-Backbone interact. energy: -0.373
local terms energy: -71.865500
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -111.602571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.602571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.602571 (E_RNA)
where:
Base-Base interactions energy: -48.410
where: short stacking energy: -41.363
Base-Backbone interact. energy: -0.275
local terms energy: -62.917909
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -8.397
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -94.943018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.943018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.943018 (E_RNA)
where:
Base-Base interactions energy: -35.288
where: short stacking energy: -35.288
Base-Backbone interact. energy: -0.221
local terms energy: -59.433554
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -106.251466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.251466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.251466 (E_RNA)
where:
Base-Base interactions energy: -34.742
where: short stacking energy: -30.665
Base-Backbone interact. energy: 0.374
local terms energy: -71.882637
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -257.409812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.409812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.409812 (E_RNA)
where:
Base-Base interactions energy: -151.967
where: short stacking energy: -89.885
Base-Backbone interact. energy: -0.103
local terms energy: -105.339560
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -15.324
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: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -220.846593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.846593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.846593 (E_RNA)
where:
Base-Base interactions energy: -122.842
where: short stacking energy: -78.661
Base-Backbone interact. energy: -0.004
local terms energy: -98.000318
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -24.290
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -22.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -233.836313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.836313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.836313 (E_RNA)
where:
Base-Base interactions energy: -134.379
where: short stacking energy: -77.357
Base-Backbone interact. energy: 0.542
local terms energy: -99.999578
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -25.826
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: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -209.551108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.551108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.551108 (E_RNA)
where:
Base-Base interactions energy: -121.305
where: short stacking energy: -71.812
Base-Backbone interact. energy: 0.216
local terms energy: -88.462166
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -15.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -129.899267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.899267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.899267 (E_RNA)
where:
Base-Base interactions energy: -57.569
where: short stacking energy: -45.546
Base-Backbone interact. energy: -0.400
local terms energy: -71.929861
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -10.769
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: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -124.886217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.886217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.886217 (E_RNA)
where:
Base-Base interactions energy: -48.095
where: short stacking energy: -46.821
Base-Backbone interact. energy: -0.132
local terms energy: -76.659367
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -114.450766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.450766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.450766 (E_RNA)
where:
Base-Base interactions energy: -47.215
where: short stacking energy: -36.449
Base-Backbone interact. energy: -0.278
local terms energy: -66.957868
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -7.483
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: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -97.217923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.217923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.217923 (E_RNA)
where:
Base-Base interactions energy: -30.719
where: short stacking energy: -30.719
Base-Backbone interact. energy: 0.874
local terms energy: -67.372913
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: 1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -120.404041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.404041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.404041 (E_RNA)
where:
Base-Base interactions energy: -53.291
where: short stacking energy: -41.495
Base-Backbone interact. energy: -0.196
local terms energy: -66.916795
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -9.988
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: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -92.116106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.116106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.116106 (E_RNA)
where:
Base-Base interactions energy: -23.869
where: short stacking energy: -18.358
Base-Backbone interact. energy: -0.352
local terms energy: -67.894544
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: 0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -252.342409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.342409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.342409 (E_RNA)
where:
Base-Base interactions energy: -153.128
where: short stacking energy: -85.255
Base-Backbone interact. energy: -0.173
local terms energy: -99.041584
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -12.144
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: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -244.111885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.111885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.111885 (E_RNA)
where:
Base-Base interactions energy: -148.935
where: short stacking energy: -90.193
Base-Backbone interact. energy: -0.106
local terms energy: -95.071092
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -27.277
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: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -210.688008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.688008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.688008 (E_RNA)
where:
Base-Base interactions energy: -114.034
where: short stacking energy: -68.800
Base-Backbone interact. energy: -0.012
local terms energy: -96.642273
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -25.233
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -15.967
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: 4, replica: 8
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -211.917623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.917623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.917623 (E_RNA)
where:
Base-Base interactions energy: -132.168
where: short stacking energy: -79.595
Base-Backbone interact. energy: -0.261
local terms energy: -79.488518
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -177.018892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.018892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.018892 (E_RNA)
where:
Base-Base interactions energy: -82.691
where: short stacking energy: -75.295
Base-Backbone interact. energy: -0.057
local terms energy: -94.271596
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -23.452
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: 6, replica: 4
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -124.996207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.996207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.996207 (E_RNA)
where:
Base-Base interactions energy: -47.605
where: short stacking energy: -47.757
Base-Backbone interact. energy: 0.399
local terms energy: -77.790155
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -11.545
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: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -129.066501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.066501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.066501 (E_RNA)
where:
Base-Base interactions energy: -47.582
where: short stacking energy: -47.582
Base-Backbone interact. energy: -0.138
local terms energy: -81.346424
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -23.099
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -110.032691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.032691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.032691 (E_RNA)
where:
Base-Base interactions energy: -47.593
where: short stacking energy: -47.793
Base-Backbone interact. energy: -0.081
local terms energy: -62.358641
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -102.578594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.578594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.578594 (E_RNA)
where:
Base-Base interactions energy: -32.793
where: short stacking energy: -32.793
Base-Backbone interact. energy: -0.291
local terms energy: -69.494478
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -5.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -95.287193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.287193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.287193 (E_RNA)
where:
Base-Base interactions energy: -27.596
where: short stacking energy: -27.015
Base-Backbone interact. energy: -0.350
local terms energy: -67.340993
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -12.533
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: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -268.159495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.159495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.159495 (E_RNA)
where:
Base-Base interactions energy: -157.472
where: short stacking energy: -87.932
Base-Backbone interact. energy: 0.608
local terms energy: -111.294694
where:
bonds (distance) C4'-P energy: -24.006
bonds (distance) P-C4' energy: -23.136
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -24.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -238.693614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.693614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.693614 (E_RNA)
where:
Base-Base interactions energy: -135.466
where: short stacking energy: -79.794
Base-Backbone interact. energy: -0.068
local terms energy: -103.160286
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -24.373
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: 3, replica: 8
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -216.154523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.154523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.154523 (E_RNA)
where:
Base-Base interactions energy: -110.147
where: short stacking energy: -76.647
Base-Backbone interact. energy: -0.003
local terms energy: -106.004961
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -25.544
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -21.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -213.860960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.860960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.860960 (E_RNA)
where:
Base-Base interactions energy: -123.720
where: short stacking energy: -72.292
Base-Backbone interact. energy: -0.085
local terms energy: -90.056403
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -146.678458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.678458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.678458 (E_RNA)
where:
Base-Base interactions energy: -59.164
where: short stacking energy: -54.937
Base-Backbone interact. energy: -0.038
local terms energy: -87.476576
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -16.941
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: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -143.555601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.555601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.555601 (E_RNA)
where:
Base-Base interactions energy: -68.330
where: short stacking energy: -68.446
Base-Backbone interact. energy: -0.100
local terms energy: -75.125490
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -11.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -131.238618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.238618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.238618 (E_RNA)
where:
Base-Base interactions energy: -44.916
where: short stacking energy: -44.916
Base-Backbone interact. energy: -0.210
local terms energy: -86.112179
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -22.471
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -104.516948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.516948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.516948 (E_RNA)
where:
Base-Base interactions energy: -31.996
where: short stacking energy: -31.644
Base-Backbone interact. energy: -0.261
local terms energy: -72.259649
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -2.421
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: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -98.604343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.604343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.604343 (E_RNA)
where:
Base-Base interactions energy: -28.484
where: short stacking energy: -28.484
Base-Backbone interact. energy: -0.451
local terms energy: -69.668868
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -5.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -90.706021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.706021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.706021 (E_RNA)
where:
Base-Base interactions energy: -20.519
where: short stacking energy: -20.510
Base-Backbone interact. energy: -0.363
local terms energy: -69.823961
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -263.924113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.924113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.924113 (E_RNA)
where:
Base-Base interactions energy: -156.088
where: short stacking energy: -97.471
Base-Backbone interact. energy: -0.400
local terms energy: -107.436449
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -15.337
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: 2, replica: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -245.959410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.959410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.959410 (E_RNA)
where:
Base-Base interactions energy: -146.517
where: short stacking energy: -87.037
Base-Backbone interact. energy: 0.216
local terms energy: -99.659301
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -23.953
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: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -220.527965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.527965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.527965 (E_RNA)
where:
Base-Base interactions energy: -123.782
where: short stacking energy: -77.674
Base-Backbone interact. energy: -0.157
local terms energy: -96.589343
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -22.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -213.847619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.847619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.847619 (E_RNA)
where:
Base-Base interactions energy: -115.601
where: short stacking energy: -76.475
Base-Backbone interact. energy: -0.116
local terms energy: -98.130697
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -144.215171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.215171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.215171 (E_RNA)
where:
Base-Base interactions energy: -61.299
where: short stacking energy: -57.544
Base-Backbone interact. energy: -0.216
local terms energy: -82.700689
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -126.892163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.892163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.892163 (E_RNA)
where:
Base-Base interactions energy: -55.531
where: short stacking energy: -40.024
Base-Backbone interact. energy: -0.145
local terms energy: -71.216748
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -4.567
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: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -118.263934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.263934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.263934 (E_RNA)
where:
Base-Base interactions energy: -45.612
where: short stacking energy: -45.425
Base-Backbone interact. energy: -0.379
local terms energy: -72.272435
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -100.832393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.832393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.832393 (E_RNA)
where:
Base-Base interactions energy: -28.207
where: short stacking energy: -21.874
Base-Backbone interact. energy: -0.902
local terms energy: -71.723199
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: 0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -109.585405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.585405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.585405 (E_RNA)
where:
Base-Base interactions energy: -38.122
where: short stacking energy: -38.122
Base-Backbone interact. energy: -0.154
local terms energy: -71.309129
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -96.645033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.645033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.645033 (E_RNA)
where:
Base-Base interactions energy: -30.186
where: short stacking energy: -18.660
Base-Backbone interact. energy: -0.194
local terms energy: -66.264873
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -20.835
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: 3.346
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: 342
Temperature: 0.900000
Total energy: -264.027258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.027258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.027258 (E_RNA)
where:
Base-Base interactions energy: -153.230
where: short stacking energy: -96.580
Base-Backbone interact. energy: 1.444
local terms energy: -112.241465
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -24.692
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: -27.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -242.860223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.860223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.860223 (E_RNA)
where:
Base-Base interactions energy: -143.765
where: short stacking energy: -82.893
Base-Backbone interact. energy: -0.009
local terms energy: -99.086090
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -24.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -199.592224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.592224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.592224 (E_RNA)
where:
Base-Base interactions energy: -113.687
where: short stacking energy: -75.000
Base-Backbone interact. energy: -0.110
local terms energy: -85.795963
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -9.433
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: 4, replica: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -211.055703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.055703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.055703 (E_RNA)
where:
Base-Base interactions energy: -130.021
where: short stacking energy: -66.760
Base-Backbone interact. energy: 1.095
local terms energy: -82.129654
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -18.191
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -136.158994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.158994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.158994 (E_RNA)
where:
Base-Base interactions energy: -59.002
where: short stacking energy: -56.512
Base-Backbone interact. energy: -0.025
local terms energy: -77.132448
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -12.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -145.473200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.473200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.473200 (E_RNA)
where:
Base-Base interactions energy: -65.073
where: short stacking energy: -49.077
Base-Backbone interact. energy: 1.193
local terms energy: -81.593678
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -114.440941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.440941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.440941 (E_RNA)
where:
Base-Base interactions energy: -37.510
where: short stacking energy: -30.198
Base-Backbone interact. energy: -0.306
local terms energy: -76.624667
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -108.142279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.142279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.142279 (E_RNA)
where:
Base-Base interactions energy: -40.461
where: short stacking energy: -40.461
Base-Backbone interact. energy: -0.060
local terms energy: -67.621302
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -103.256449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.256449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.256449 (E_RNA)
where:
Base-Base interactions energy: -34.527
where: short stacking energy: -30.470
Base-Backbone interact. energy: -0.304
local terms energy: -68.425497
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -91.106384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.106384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.106384 (E_RNA)
where:
Base-Base interactions energy: -36.401
where: short stacking energy: -25.319
Base-Backbone interact. energy: 0.195
local terms energy: -54.900877
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: 5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -261.876167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.876167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.876167 (E_RNA)
where:
Base-Base interactions energy: -160.202
where: short stacking energy: -95.825
Base-Backbone interact. energy: -0.076
local terms energy: -101.598044
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -27.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -248.111665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.111665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.111665 (E_RNA)
where:
Base-Base interactions energy: -145.749
where: short stacking energy: -88.340
Base-Backbone interact. energy: -0.045
local terms energy: -102.317705
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -20.541
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -22.667
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: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -214.745124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.745124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.745124 (E_RNA)
where:
Base-Base interactions energy: -124.443
where: short stacking energy: -75.913
Base-Backbone interact. energy: -0.251
local terms energy: -90.051407
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -16.482
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: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -205.509667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.509667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.509667 (E_RNA)
where:
Base-Base interactions energy: -117.993
where: short stacking energy: -74.516
Base-Backbone interact. energy: -0.143
local terms energy: -87.373538
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -22.736
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -127.766663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.766663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.766663 (E_RNA)
where:
Base-Base interactions energy: -44.921
where: short stacking energy: -44.921
Base-Backbone interact. energy: -0.303
local terms energy: -82.542621
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -10.030
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: 6, replica: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -164.929492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.929492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.929492 (E_RNA)
where:
Base-Base interactions energy: -77.227
where: short stacking energy: -51.840
Base-Backbone interact. energy: -0.162
local terms energy: -87.540404
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -23.117
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -141.028234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.028234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.028234 (E_RNA)
where:
Base-Base interactions energy: -61.759
where: short stacking energy: -44.983
Base-Backbone interact. energy: -0.307
local terms energy: -78.962076
where:
bonds (distance) C4'-P energy: -22.628
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -111.609324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.609324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.609324 (E_RNA)
where:
Base-Base interactions energy: -37.727
where: short stacking energy: -28.103
Base-Backbone interact. energy: -0.142
local terms energy: -73.739737
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -14.171
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: 9, replica: 3
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -102.266652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.266652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.266652 (E_RNA)
where:
Base-Base interactions energy: -44.984
where: short stacking energy: -23.663
Base-Backbone interact. energy: -0.365
local terms energy: -56.917576
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: 5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -98.630044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.630044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.630044 (E_RNA)
where:
Base-Base interactions energy: -36.953
where: short stacking energy: -36.953
Base-Backbone interact. energy: 0.283
local terms energy: -61.959837
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -8.638
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -259.703797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.703797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.703797 (E_RNA)
where:
Base-Base interactions energy: -154.151
where: short stacking energy: -89.380
Base-Backbone interact. energy: 0.578
local terms energy: -106.130273
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -23.764
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -23.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -243.206047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.206047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.206047 (E_RNA)
where:
Base-Base interactions energy: -138.508
where: short stacking energy: -79.522
Base-Backbone interact. energy: -0.189
local terms energy: -104.509467
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -24.600
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -222.623898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.623898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.623898 (E_RNA)
where:
Base-Base interactions energy: -126.829
where: short stacking energy: -62.092
Base-Backbone interact. energy: -0.212
local terms energy: -95.582466
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -14.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -199.267006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.267006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.267006 (E_RNA)
where:
Base-Base interactions energy: -111.061
where: short stacking energy: -67.467
Base-Backbone interact. energy: 0.519
local terms energy: -88.725033
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -10.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -185.393081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.393081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.393081 (E_RNA)
where:
Base-Base interactions energy: -108.129
where: short stacking energy: -62.281
Base-Backbone interact. energy: 0.065
local terms energy: -77.329151
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -16.810
tors. eta vs tors. theta energy: -14.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -152.987698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.987698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.987698 (E_RNA)
where:
Base-Base interactions energy: -76.213
where: short stacking energy: -60.909
Base-Backbone interact. energy: -0.172
local terms energy: -76.603355
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -5.378
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: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -115.652927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.652927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.652927 (E_RNA)
where:
Base-Base interactions energy: -39.505
where: short stacking energy: -39.505
Base-Backbone interact. energy: 0.025
local terms energy: -76.172901
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: 0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -119.089183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.089183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.089183 (E_RNA)
where:
Base-Base interactions energy: -44.620
where: short stacking energy: -34.021
Base-Backbone interact. energy: -1.292
local terms energy: -73.177056
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -12.837
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: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -97.198482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.198482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.198482 (E_RNA)
where:
Base-Base interactions energy: -35.403
where: short stacking energy: -35.403
Base-Backbone interact. energy: -0.400
local terms energy: -61.395113
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -94.152695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.152695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.152695 (E_RNA)
where:
Base-Base interactions energy: -27.615
where: short stacking energy: -27.615
Base-Backbone interact. energy: 0.630
local terms energy: -67.167595
where:
bonds (distance) C4'-P energy: -20.622
bonds (distance) P-C4' energy: -25.016
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -4.643
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: 1, replica: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -254.829018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.829018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.829018 (E_RNA)
where:
Base-Base interactions energy: -147.608
where: short stacking energy: -79.657
Base-Backbone interact. energy: -1.966
local terms energy: -105.254755
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -23.945
flat angles C4'-P-C4' energy: -23.918
flat angles P-C4'-P energy: -15.343
tors. eta vs tors. theta energy: -27.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -248.044644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.044644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.044644 (E_RNA)
where:
Base-Base interactions energy: -152.097
where: short stacking energy: -85.285
Base-Backbone interact. energy: -0.088
local terms energy: -95.859973
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -27.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -223.991170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.991170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.991170 (E_RNA)
where:
Base-Base interactions energy: -129.280
where: short stacking energy: -82.385
Base-Backbone interact. energy: -0.051
local terms energy: -94.660172
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -237.209829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.209829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.209829 (E_RNA)
where:
Base-Base interactions energy: -131.564
where: short stacking energy: -81.866
Base-Backbone interact. energy: 1.389
local terms energy: -107.035186
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -23.666
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -25.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -193.383382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.383382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.383382 (E_RNA)
where:
Base-Base interactions energy: -111.527
where: short stacking energy: -51.453
Base-Backbone interact. energy: -0.295
local terms energy: -81.561127
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -11.040
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: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -168.125615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.125615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.125615 (E_RNA)
where:
Base-Base interactions energy: -89.284
where: short stacking energy: -56.605
Base-Backbone interact. energy: -0.475
local terms energy: -78.366589
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -16.800
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: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -116.958494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.958494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.958494 (E_RNA)
where:
Base-Base interactions energy: -47.728
where: short stacking energy: -41.192
Base-Backbone interact. energy: -0.188
local terms energy: -69.043038
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -18.909
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -102.984071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.984071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.984071 (E_RNA)
where:
Base-Base interactions energy: -44.851
where: short stacking energy: -25.592
Base-Backbone interact. energy: -0.519
local terms energy: -57.613563
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: 5.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -107.393735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.393735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.393735 (E_RNA)
where:
Base-Base interactions energy: -30.224
where: short stacking energy: -22.379
Base-Backbone interact. energy: -0.070
local terms energy: -77.099764
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -23.949
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -5.793
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: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -101.125658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.125658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.125658 (E_RNA)
where:
Base-Base interactions energy: -37.242
where: short stacking energy: -36.037
Base-Backbone interact. energy: -0.145
local terms energy: -63.738923
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -259.922919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.922919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.922919 (E_RNA)
where:
Base-Base interactions energy: -153.616
where: short stacking energy: -95.275
Base-Backbone interact. energy: -0.151
local terms energy: -106.155867
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -27.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -262.148992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.148992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.148992 (E_RNA)
where:
Base-Base interactions energy: -158.252
where: short stacking energy: -94.073
Base-Backbone interact. energy: -0.000
local terms energy: -103.896650
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -27.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -203.538930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.538930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.538930 (E_RNA)
where:
Base-Base interactions energy: -111.625
where: short stacking energy: -68.556
Base-Backbone interact. energy: -0.370
local terms energy: -91.543307
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -23.546
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -207.750463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.750463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.750463 (E_RNA)
where:
Base-Base interactions energy: -115.259
where: short stacking energy: -73.273
Base-Backbone interact. energy: -0.175
local terms energy: -92.316250
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -18.691
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -189.611731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.611731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.611731 (E_RNA)
where:
Base-Base interactions energy: -103.316
where: short stacking energy: -75.049
Base-Backbone interact. energy: -0.258
local terms energy: -86.038003
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -20.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -150.265043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.265043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.265043 (E_RNA)
where:
Base-Base interactions energy: -73.029
where: short stacking energy: -43.685
Base-Backbone interact. energy: -0.174
local terms energy: -77.062143
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -8.879
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: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -117.725642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.725642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.725642 (E_RNA)
where:
Base-Base interactions energy: -41.271
where: short stacking energy: -41.271
Base-Backbone interact. energy: -0.041
local terms energy: -76.413952
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -10.515
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: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -114.261350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.261350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.261350 (E_RNA)
where:
Base-Base interactions energy: -48.331
where: short stacking energy: -33.242
Base-Backbone interact. energy: -0.146
local terms energy: -65.784632
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -107.381689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.381689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.381689 (E_RNA)
where:
Base-Base interactions energy: -36.418
where: short stacking energy: -36.418
Base-Backbone interact. energy: 0.192
local terms energy: -71.155447
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -3.759
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: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -106.978969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.978969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.978969 (E_RNA)
where:
Base-Base interactions energy: -40.906
where: short stacking energy: -37.683
Base-Backbone interact. energy: 0.135
local terms energy: -66.207665
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -5.529
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: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -266.482031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.482031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.482031 (E_RNA)
where:
Base-Base interactions energy: -160.366
where: short stacking energy: -88.888
Base-Backbone interact. energy: -0.109
local terms energy: -106.006487
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -26.231
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: 347
Temperature: 0.950000
Total energy: -264.077946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.077946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.077946 (E_RNA)
where:
Base-Base interactions energy: -163.579
where: short stacking energy: -92.408
Base-Backbone interact. energy: -0.010
local terms energy: -100.488126
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -21.915
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -23.691
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: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -224.074559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.074559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.074559 (E_RNA)
where:
Base-Base interactions energy: -130.824
where: short stacking energy: -90.325
Base-Backbone interact. energy: 0.441
local terms energy: -93.691175
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -21.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -203.614671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.614671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.614671 (E_RNA)
where:
Base-Base interactions energy: -126.531
where: short stacking energy: -63.961
Base-Backbone interact. energy: -0.183
local terms energy: -76.900932
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -12.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -179.828182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.828182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.828182 (E_RNA)
where:
Base-Base interactions energy: -87.072
where: short stacking energy: -60.563
Base-Backbone interact. energy: -0.208
local terms energy: -92.548163
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -142.223997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.223997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.223997 (E_RNA)
where:
Base-Base interactions energy: -61.070
where: short stacking energy: -54.539
Base-Backbone interact. energy: -0.156
local terms energy: -80.998456
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -13.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -109.569457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.569457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.569457 (E_RNA)
where:
Base-Base interactions energy: -33.457
where: short stacking energy: -22.160
Base-Backbone interact. energy: -0.252
local terms energy: -75.860128
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -152.061860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.061860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.061860 (E_RNA)
where:
Base-Base interactions energy: -61.618
where: short stacking energy: -57.905
Base-Backbone interact. energy: -0.003
local terms energy: -90.440919
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -19.058
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: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -103.416622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.416622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.416622 (E_RNA)
where:
Base-Base interactions energy: -37.192
where: short stacking energy: -37.192
Base-Backbone interact. energy: -0.223
local terms energy: -66.001964
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -100.761843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.761843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.761843 (E_RNA)
where:
Base-Base interactions energy: -35.959
where: short stacking energy: -29.461
Base-Backbone interact. energy: -0.276
local terms energy: -64.527209
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: 0.367
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: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -275.847172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.847172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.847172 (E_RNA)
where:
Base-Base interactions energy: -166.217
where: short stacking energy: -100.577
Base-Backbone interact. energy: -0.011
local terms energy: -109.619524
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -30.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -229.029732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.029732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.029732 (E_RNA)
where:
Base-Base interactions energy: -129.090
where: short stacking energy: -76.846
Base-Backbone interact. energy: -0.150
local terms energy: -99.789366
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -20.644
flat angles P-C4'-P energy: -12.445
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: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -211.931043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.931043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.931043 (E_RNA)
where:
Base-Base interactions energy: -120.330
where: short stacking energy: -61.407
Base-Backbone interact. energy: -0.990
local terms energy: -90.610899
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -219.678252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.678252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.678252 (E_RNA)
where:
Base-Base interactions energy: -130.421
where: short stacking energy: -88.178
Base-Backbone interact. energy: -0.155
local terms energy: -89.102063
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -24.802
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -24.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -154.863098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.863098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.863098 (E_RNA)
where:
Base-Base interactions energy: -80.566
where: short stacking energy: -49.736
Base-Backbone interact. energy: -0.339
local terms energy: -73.958650
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -11.051
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: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -136.191252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.191252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.191252 (E_RNA)
where:
Base-Base interactions energy: -52.152
where: short stacking energy: -43.780
Base-Backbone interact. energy: 0.534
local terms energy: -84.573944
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -22.744
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -131.338940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.338940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.338940 (E_RNA)
where:
Base-Base interactions energy: -50.482
where: short stacking energy: -46.572
Base-Backbone interact. energy: -0.891
local terms energy: -79.965482
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -10.646
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: 8, replica: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -120.561206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.561206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.561206 (E_RNA)
where:
Base-Base interactions energy: -48.001
where: short stacking energy: -48.001
Base-Backbone interact. energy: -0.217
local terms energy: -72.343394
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -7.425
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: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -103.385899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.385899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.385899 (E_RNA)
where:
Base-Base interactions energy: -34.956
where: short stacking energy: -30.352
Base-Backbone interact. energy: -0.138
local terms energy: -68.291599
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -11.115
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: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -99.348416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.348416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.348416 (E_RNA)
where:
Base-Base interactions energy: -36.761
where: short stacking energy: -38.094
Base-Backbone interact. energy: -0.491
local terms energy: -62.095802
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -258.688011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.688011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.688011 (E_RNA)
where:
Base-Base interactions energy: -153.942
where: short stacking energy: -95.569
Base-Backbone interact. energy: 0.004
local terms energy: -104.749708
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -23.719
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -27.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -253.539958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.539958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.539958 (E_RNA)
where:
Base-Base interactions energy: -154.252
where: short stacking energy: -91.613
Base-Backbone interact. energy: -0.071
local terms energy: -99.216969
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -10.713
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: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -210.162320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.162320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.162320 (E_RNA)
where:
Base-Base interactions energy: -119.304
where: short stacking energy: -69.966
Base-Backbone interact. energy: -0.159
local terms energy: -90.699893
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -20.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -144.912195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.912195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.912195 (E_RNA)
where:
Base-Base interactions energy: -59.840
where: short stacking energy: -59.840
Base-Backbone interact. energy: -0.075
local terms energy: -84.997272
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -21.090
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -11.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -201.936884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.936884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.936884 (E_RNA)
where:
Base-Base interactions energy: -112.831
where: short stacking energy: -72.024
Base-Backbone interact. energy: -0.166
local terms energy: -88.940117
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -136.971191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.971191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.971191 (E_RNA)
where:
Base-Base interactions energy: -64.714
where: short stacking energy: -44.324
Base-Backbone interact. energy: 0.446
local terms energy: -72.702777
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -5.924
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: 7, replica: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -123.322764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.322764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.322764 (E_RNA)
where:
Base-Base interactions energy: -57.879
where: short stacking energy: -46.591
Base-Backbone interact. energy: 0.267
local terms energy: -65.711061
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -8.051
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: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -119.767087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.767087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.767087 (E_RNA)
where:
Base-Base interactions energy: -52.381
where: short stacking energy: -48.701
Base-Backbone interact. energy: -0.087
local terms energy: -67.298955
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -4.486
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: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -96.785208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.785208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.785208 (E_RNA)
where:
Base-Base interactions energy: -38.762
where: short stacking energy: -33.319
Base-Backbone interact. energy: -0.466
local terms energy: -57.557519
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -105.361170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.361170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.361170 (E_RNA)
where:
Base-Base interactions energy: -42.934
where: short stacking energy: -43.134
Base-Backbone interact. energy: 0.581
local terms energy: -63.008075
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -7.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -264.364485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.364485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.364485 (E_RNA)
where:
Base-Base interactions energy: -146.886
where: short stacking energy: -97.664
Base-Backbone interact. energy: -0.050
local terms energy: -117.428408
where:
bonds (distance) C4'-P energy: -22.048
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -24.019
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -30.427
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: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -240.150945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.150945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.150945 (E_RNA)
where:
Base-Base interactions energy: -139.807
where: short stacking energy: -78.692
Base-Backbone interact. energy: 1.887
local terms energy: -102.230574
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -21.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -201.439151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.439151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.439151 (E_RNA)
where:
Base-Base interactions energy: -122.690
where: short stacking energy: -78.578
Base-Backbone interact. energy: -0.198
local terms energy: -78.551353
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -10.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -143.881131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.881131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.881131 (E_RNA)
where:
Base-Base interactions energy: -67.040
where: short stacking energy: -47.032
Base-Backbone interact. energy: -0.411
local terms energy: -76.430032
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -192.286311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.286311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.286311 (E_RNA)
where:
Base-Base interactions energy: -103.729
where: short stacking energy: -63.389
Base-Backbone interact. energy: 0.004
local terms energy: -88.561443
where:
bonds (distance) C4'-P energy: -20.088
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -13.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -134.096289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.096289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.096289 (E_RNA)
where:
Base-Base interactions energy: -60.727
where: short stacking energy: -60.727
Base-Backbone interact. energy: -0.062
local terms energy: -73.306780
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -19.071
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -13.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -114.687629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.687629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.687629 (E_RNA)
where:
Base-Base interactions energy: -46.110
where: short stacking energy: -36.129
Base-Backbone interact. energy: -1.419
local terms energy: -67.159289
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -19.984
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: 0.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -120.245539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.245539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.245539 (E_RNA)
where:
Base-Base interactions energy: -46.567
where: short stacking energy: -46.567
Base-Backbone interact. energy: 0.125
local terms energy: -73.803054
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -6.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -115.500489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.500489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.500489 (E_RNA)
where:
Base-Base interactions energy: -40.714
where: short stacking energy: -37.380
Base-Backbone interact. energy: 0.684
local terms energy: -75.470020
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -99.461399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.461399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.461399 (E_RNA)
where:
Base-Base interactions energy: -34.691
where: short stacking energy: -33.059
Base-Backbone interact. energy: -0.106
local terms energy: -64.663947
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -8.289
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: 1, replica: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -264.894390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.894390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.894390 (E_RNA)
where:
Base-Base interactions energy: -152.359
where: short stacking energy: -96.290
Base-Backbone interact. energy: -0.158
local terms energy: -112.377143
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -19.121
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: -32.408
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: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -262.904247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.904247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.904247 (E_RNA)
where:
Base-Base interactions energy: -154.051
where: short stacking energy: -92.507
Base-Backbone interact. energy: -0.071
local terms energy: -108.782055
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -29.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -209.166105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.166105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.166105 (E_RNA)
where:
Base-Base interactions energy: -117.143
where: short stacking energy: -70.223
Base-Backbone interact. energy: 0.060
local terms energy: -92.083438
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -14.819
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: 4, replica: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -191.361088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.361088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.361088 (E_RNA)
where:
Base-Base interactions energy: -110.558
where: short stacking energy: -65.407
Base-Backbone interact. energy: -0.267
local terms energy: -80.535556
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -19.092
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -14.527
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: 5, replica: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -144.104842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.104842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.104842 (E_RNA)
where:
Base-Base interactions energy: -75.971
where: short stacking energy: -43.287
Base-Backbone interact. energy: -0.439
local terms energy: -67.694088
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -2.219
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: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -130.172582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.172582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.172582 (E_RNA)
where:
Base-Base interactions energy: -56.555
where: short stacking energy: -47.300
Base-Backbone interact. energy: -0.282
local terms energy: -73.336240
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -5.651
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: 351
Temperature: 1.200000
Total energy: -116.423977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.423977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.423977 (E_RNA)
where:
Base-Base interactions energy: -37.497
where: short stacking energy: -36.042
Base-Backbone interact. energy: -1.045
local terms energy: -77.881697
where:
bonds (distance) C4'-P energy: -23.953
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -105.286548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.286548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.286548 (E_RNA)
where:
Base-Base interactions energy: -38.653
where: short stacking energy: -29.980
Base-Backbone interact. energy: -0.199
local terms energy: -66.434559
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: 0.178
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: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -100.291280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.291280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.291280 (E_RNA)
where:
Base-Base interactions energy: -43.041
where: short stacking energy: -30.495
Base-Backbone interact. energy: 1.231
local terms energy: -58.481488
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: 0.044
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: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -97.387441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.387441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.387441 (E_RNA)
where:
Base-Base interactions energy: -27.972
where: short stacking energy: -23.001
Base-Backbone interact. energy: -0.410
local terms energy: -69.005935
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -23.901
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -11.838
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: 1, replica: 9
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -264.650339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.650339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.650339 (E_RNA)
where:
Base-Base interactions energy: -155.746
where: short stacking energy: -96.254
Base-Backbone interact. energy: -0.068
local terms energy: -108.836986
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -30.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -241.876533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.876533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.876533 (E_RNA)
where:
Base-Base interactions energy: -141.487
where: short stacking energy: -86.031
Base-Backbone interact. energy: 0.193
local terms energy: -100.583024
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -24.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -201.325830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.325830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.325830 (E_RNA)
where:
Base-Base interactions energy: -116.022
where: short stacking energy: -68.924
Base-Backbone interact. energy: -0.143
local terms energy: -85.160870
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -12.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -193.777737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.777737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.777737 (E_RNA)
where:
Base-Base interactions energy: -105.122
where: short stacking energy: -64.923
Base-Backbone interact. energy: -0.108
local terms energy: -88.548046
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -13.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -135.832328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.832328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.832328 (E_RNA)
where:
Base-Base interactions energy: -48.417
where: short stacking energy: -48.417
Base-Backbone interact. energy: -0.099
local terms energy: -87.315744
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -14.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -139.235844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.235844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.235844 (E_RNA)
where:
Base-Base interactions energy: -56.686
where: short stacking energy: -56.686
Base-Backbone interact. energy: -0.281
local terms energy: -82.268160
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -131.741599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.741599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.741599 (E_RNA)
where:
Base-Base interactions energy: -72.461
where: short stacking energy: -50.513
Base-Backbone interact. energy: -0.541
local terms energy: -58.739336
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -4.828
tors. eta vs tors. theta energy: -6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -112.529237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.529237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.529237 (E_RNA)
where:
Base-Base interactions energy: -54.203
where: short stacking energy: -36.270
Base-Backbone interact. energy: -0.386
local terms energy: -57.940899
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -101.498252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.498252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.498252 (E_RNA)
where:
Base-Base interactions energy: -29.996
where: short stacking energy: -30.462
Base-Backbone interact. energy: -0.503
local terms energy: -70.999399
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -93.305693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.305693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.305693 (E_RNA)
where:
Base-Base interactions energy: -33.851
where: short stacking energy: -33.676
Base-Backbone interact. energy: -0.834
local terms energy: -58.620611
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -0.350
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: 1, replica: 9
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -266.005788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.005788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.005788 (E_RNA)
where:
Base-Base interactions energy: -153.216
where: short stacking energy: -87.777
Base-Backbone interact. energy: -0.074
local terms energy: -112.715645
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -29.422
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: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -241.690212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.690212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.690212 (E_RNA)
where:
Base-Base interactions energy: -142.538
where: short stacking energy: -85.225
Base-Backbone interact. energy: -0.249
local terms energy: -98.903098
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -20.514
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: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -199.879197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.879197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.879197 (E_RNA)
where:
Base-Base interactions energy: -117.073
where: short stacking energy: -68.916
Base-Backbone interact. energy: -0.572
local terms energy: -82.233990
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -196.917884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.917884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.917884 (E_RNA)
where:
Base-Base interactions energy: -103.139
where: short stacking energy: -60.719
Base-Backbone interact. energy: -0.376
local terms energy: -93.402941
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -12.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -132.875042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.875042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.875042 (E_RNA)
where:
Base-Base interactions energy: -51.252
where: short stacking energy: -51.252
Base-Backbone interact. energy: -0.076
local terms energy: -81.547564
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -139.649505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.649505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.649505 (E_RNA)
where:
Base-Base interactions energy: -65.279
where: short stacking energy: -47.146
Base-Backbone interact. energy: -0.300
local terms energy: -74.071150
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -19.515
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -130.867165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.867165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.867165 (E_RNA)
where:
Base-Base interactions energy: -51.260
where: short stacking energy: -50.673
Base-Backbone interact. energy: -0.529
local terms energy: -79.078591
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -11.951
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: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -122.226523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.226523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.226523 (E_RNA)
where:
Base-Base interactions energy: -45.871
where: short stacking energy: -45.871
Base-Backbone interact. energy: -0.278
local terms energy: -76.077815
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -20.141
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -10.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -106.971136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.971136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.971136 (E_RNA)
where:
Base-Base interactions energy: -42.314
where: short stacking energy: -36.954
Base-Backbone interact. energy: -1.162
local terms energy: -63.495640
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -95.102231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.102231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.102231 (E_RNA)
where:
Base-Base interactions energy: -35.900
where: short stacking energy: -31.449
Base-Backbone interact. energy: -0.383
local terms energy: -58.819112
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -254.416005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.416005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.416005 (E_RNA)
where:
Base-Base interactions energy: -145.876
where: short stacking energy: -93.107
Base-Backbone interact. energy: -0.189
local terms energy: -108.350575
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -23.316
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -29.569
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: 9
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -255.862395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.862395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.862395 (E_RNA)
where:
Base-Base interactions energy: -153.670
where: short stacking energy: -94.808
Base-Backbone interact. energy: -0.005
local terms energy: -102.187183
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -24.498
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -30.385
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: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -189.206118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.206118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.206118 (E_RNA)
where:
Base-Base interactions energy: -110.490
where: short stacking energy: -65.777
Base-Backbone interact. energy: -0.243
local terms energy: -78.472621
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -12.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -198.639272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.639272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.639272 (E_RNA)
where:
Base-Base interactions energy: -107.721
where: short stacking energy: -64.952
Base-Backbone interact. energy: -0.440
local terms energy: -90.477603
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -22.662
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -11.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -157.330129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.330129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.330129 (E_RNA)
where:
Base-Base interactions energy: -71.005
where: short stacking energy: -44.066
Base-Backbone interact. energy: -0.188
local terms energy: -86.137802
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -14.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -127.573420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.573420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.573420 (E_RNA)
where:
Base-Base interactions energy: -49.339
where: short stacking energy: -45.249
Base-Backbone interact. energy: 0.068
local terms energy: -78.302388
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -6.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -118.288062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.288062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.288062 (E_RNA)
where:
Base-Base interactions energy: -52.673
where: short stacking energy: -52.477
Base-Backbone interact. energy: -0.207
local terms energy: -65.408766
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -104.313599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.313599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.313599 (E_RNA)
where:
Base-Base interactions energy: -39.161
where: short stacking energy: -39.161
Base-Backbone interact. energy: -0.023
local terms energy: -65.129501
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -9.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -104.409867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.409867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.409867 (E_RNA)
where:
Base-Base interactions energy: -42.021
where: short stacking energy: -28.602
Base-Backbone interact. energy: -0.537
local terms energy: -61.852122
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -5.102
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: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -103.043309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.043309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.043309 (E_RNA)
where:
Base-Base interactions energy: -32.452
where: short stacking energy: -25.944
Base-Backbone interact. energy: -0.488
local terms energy: -70.102705
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -243.804621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.804621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.804621 (E_RNA)
where:
Base-Base interactions energy: -145.916
where: short stacking energy: -77.266
Base-Backbone interact. energy: -0.494
local terms energy: -97.393940
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -15.398
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: 2, replica: 9
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -249.765095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.765095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.765095 (E_RNA)
where:
Base-Base interactions energy: -145.414
where: short stacking energy: -84.334
Base-Backbone interact. energy: -0.101
local terms energy: -104.249530
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -26.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -193.632529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.632529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.632529 (E_RNA)
where:
Base-Base interactions energy: -116.481
where: short stacking energy: -63.554
Base-Backbone interact. energy: -0.140
local terms energy: -77.011547
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -203.555382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.555382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.555382 (E_RNA)
where:
Base-Base interactions energy: -112.665
where: short stacking energy: -71.979
Base-Backbone interact. energy: -0.754
local terms energy: -90.137141
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -145.698122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.698122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.698122 (E_RNA)
where:
Base-Base interactions energy: -73.859
where: short stacking energy: -51.507
Base-Backbone interact. energy: -0.118
local terms energy: -71.721767
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -1.982
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -138.678450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.678450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.678450 (E_RNA)
where:
Base-Base interactions energy: -52.958
where: short stacking energy: -50.828
Base-Backbone interact. energy: -0.227
local terms energy: -85.493065
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -13.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -115.790827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.790827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.790827 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -32.340
Base-Backbone interact. energy: 0.344
local terms energy: -81.447606
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -24.528
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -111.663590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.663590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.663590 (E_RNA)
where:
Base-Base interactions energy: -42.077
where: short stacking energy: -42.077
Base-Backbone interact. energy: -0.110
local terms energy: -69.476690
where:
bonds (distance) C4'-P energy: -10.167
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -10.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -123.623419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.623419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.623419 (E_RNA)
where:
Base-Base interactions energy: -48.690
where: short stacking energy: -48.690
Base-Backbone interact. energy: -0.020
local terms energy: -74.913614
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -11.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -103.708404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.708404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.708404 (E_RNA)
where:
Base-Base interactions energy: -47.796
where: short stacking energy: -43.294
Base-Backbone interact. energy: -0.143
local terms energy: -55.769609
where:
bonds (distance) C4'-P energy: -8.719
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -8.243
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: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -263.683583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.683583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.683583 (E_RNA)
where:
Base-Base interactions energy: -161.121
where: short stacking energy: -98.222
Base-Backbone interact. energy: -0.152
local terms energy: -102.411080
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -27.579
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: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -244.054274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.054274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.054274 (E_RNA)
where:
Base-Base interactions energy: -135.638
where: short stacking energy: -75.897
Base-Backbone interact. energy: -0.267
local terms energy: -108.149684
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -27.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -226.045616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.045616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.045616 (E_RNA)
where:
Base-Base interactions energy: -128.860
where: short stacking energy: -72.344
Base-Backbone interact. energy: -0.596
local terms energy: -96.589289
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -20.722
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: 356
Temperature: 1.050000
Total energy: -216.946527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.946527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.946527 (E_RNA)
where:
Base-Base interactions energy: -128.823
where: short stacking energy: -68.716
Base-Backbone interact. energy: -0.500
local terms energy: -87.623786
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -136.277874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.277874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.277874 (E_RNA)
where:
Base-Base interactions energy: -50.594
where: short stacking energy: -50.594
Base-Backbone interact. energy: -0.176
local terms energy: -85.507610
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -7.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -119.582023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.582023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.582023 (E_RNA)
where:
Base-Base interactions energy: -46.981
where: short stacking energy: -42.118
Base-Backbone interact. energy: -1.335
local terms energy: -71.265795
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -1.778
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: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -135.636361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.636361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.636361 (E_RNA)
where:
Base-Base interactions energy: -50.568
where: short stacking energy: -50.568
Base-Backbone interact. energy: -0.113
local terms energy: -84.955795
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -111.976705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.976705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.976705 (E_RNA)
where:
Base-Base interactions energy: -40.248
where: short stacking energy: -40.248
Base-Backbone interact. energy: -0.294
local terms energy: -71.435075
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -121.121685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.121685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.121685 (E_RNA)
where:
Base-Base interactions energy: -51.495
where: short stacking energy: -51.495
Base-Backbone interact. energy: -0.291
local terms energy: -69.335565
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -6.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -106.393786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.393786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.393786 (E_RNA)
where:
Base-Base interactions energy: -36.890
where: short stacking energy: -30.621
Base-Backbone interact. energy: -1.306
local terms energy: -68.198027
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -261.208037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.208037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.208037 (E_RNA)
where:
Base-Base interactions energy: -157.842
where: short stacking energy: -91.771
Base-Backbone interact. energy: -0.046
local terms energy: -103.320196
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -27.392
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: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -247.515852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.515852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.515852 (E_RNA)
where:
Base-Base interactions energy: -148.639
where: short stacking energy: -76.336
Base-Backbone interact. energy: -0.483
local terms energy: -98.393613
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -24.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -230.119554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.119554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.119554 (E_RNA)
where:
Base-Base interactions energy: -131.234
where: short stacking energy: -84.093
Base-Backbone interact. energy: -0.086
local terms energy: -98.799768
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -25.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -217.512213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.512213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.512213 (E_RNA)
where:
Base-Base interactions energy: -126.078
where: short stacking energy: -76.192
Base-Backbone interact. energy: -0.507
local terms energy: -90.926637
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -133.987602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.987602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.987602 (E_RNA)
where:
Base-Base interactions energy: -59.996
where: short stacking energy: -48.907
Base-Backbone interact. energy: -0.617
local terms energy: -73.374598
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -134.921755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.921755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.921755 (E_RNA)
where:
Base-Base interactions energy: -50.668
where: short stacking energy: -49.835
Base-Backbone interact. energy: 1.037
local terms energy: -85.290053
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -126.304271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.304271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.304271 (E_RNA)
where:
Base-Base interactions energy: -58.207
where: short stacking energy: -46.482
Base-Backbone interact. energy: -0.127
local terms energy: -67.971066
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -114.692994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.692994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.692994 (E_RNA)
where:
Base-Base interactions energy: -48.921
where: short stacking energy: -36.683
Base-Backbone interact. energy: -0.317
local terms energy: -65.455376
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -107.399359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.399359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.399359 (E_RNA)
where:
Base-Base interactions energy: -46.840
where: short stacking energy: -39.350
Base-Backbone interact. energy: -0.489
local terms energy: -60.070562
where:
bonds (distance) C4'-P energy: -7.799
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -104.720875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.720875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.720875 (E_RNA)
where:
Base-Base interactions energy: -39.032
where: short stacking energy: -25.263
Base-Backbone interact. energy: 1.246
local terms energy: -66.934888
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: 3.322
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: 9
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -273.072924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.072924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.072924 (E_RNA)
where:
Base-Base interactions energy: -161.010
where: short stacking energy: -101.548
Base-Backbone interact. energy: -0.277
local terms energy: -111.785217
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -25.553
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -30.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -258.127023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.127023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.127023 (E_RNA)
where:
Base-Base interactions energy: -157.971
where: short stacking energy: -83.958
Base-Backbone interact. energy: -2.249
local terms energy: -97.906364
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -21.610
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: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -226.475047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.475047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.475047 (E_RNA)
where:
Base-Base interactions energy: -121.187
where: short stacking energy: -83.767
Base-Backbone interact. energy: 1.201
local terms energy: -106.488558
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -24.601
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: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -209.565717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.565717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.565717 (E_RNA)
where:
Base-Base interactions energy: -132.388
where: short stacking energy: -72.763
Base-Backbone interact. energy: -0.381
local terms energy: -76.796383
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -13.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -139.304819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.304819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.304819 (E_RNA)
where:
Base-Base interactions energy: -51.228
where: short stacking energy: -49.340
Base-Backbone interact. energy: -0.224
local terms energy: -87.853119
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -11.140
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: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -152.091529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.091529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.091529 (E_RNA)
where:
Base-Base interactions energy: -66.355
where: short stacking energy: -58.724
Base-Backbone interact. energy: 0.242
local terms energy: -85.978321
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -13.899
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: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -123.069290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.069290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.069290 (E_RNA)
where:
Base-Base interactions energy: -52.011
where: short stacking energy: -25.072
Base-Backbone interact. energy: 0.255
local terms energy: -71.313595
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -11.448
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: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -123.342405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.342405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.342405 (E_RNA)
where:
Base-Base interactions energy: -43.886
where: short stacking energy: -33.228
Base-Backbone interact. energy: -0.617
local terms energy: -78.839067
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -19.768
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -10.799
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: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -108.802054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.802054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.802054 (E_RNA)
where:
Base-Base interactions energy: -51.836
where: short stacking energy: -51.836
Base-Backbone interact. energy: -0.223
local terms energy: -56.743366
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -6.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -96.142706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.142706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.142706 (E_RNA)
where:
Base-Base interactions energy: -33.009
where: short stacking energy: -26.779
Base-Backbone interact. energy: -0.825
local terms energy: -62.308516
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -271.853718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.853718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.853718 (E_RNA)
where:
Base-Base interactions energy: -160.976
where: short stacking energy: -95.348
Base-Backbone interact. energy: -1.582
local terms energy: -109.295561
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -32.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -246.585502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.585502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.585502 (E_RNA)
where:
Base-Base interactions energy: -139.424
where: short stacking energy: -91.425
Base-Backbone interact. energy: -0.166
local terms energy: -106.995317
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -27.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -238.993597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.993597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.993597 (E_RNA)
where:
Base-Base interactions energy: -140.323
where: short stacking energy: -84.132
Base-Backbone interact. energy: -0.688
local terms energy: -97.983084
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -199.177870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.177870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.177870 (E_RNA)
where:
Base-Base interactions energy: -111.227
where: short stacking energy: -58.693
Base-Backbone interact. energy: 0.306
local terms energy: -88.256474
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -147.409445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.409445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.409445 (E_RNA)
where:
Base-Base interactions energy: -60.840
where: short stacking energy: -53.451
Base-Backbone interact. energy: -0.873
local terms energy: -85.696149
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -124.200098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.200098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.200098 (E_RNA)
where:
Base-Base interactions energy: -45.672
where: short stacking energy: -44.842
Base-Backbone interact. energy: -0.203
local terms energy: -78.325149
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -133.079707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.079707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.079707 (E_RNA)
where:
Base-Base interactions energy: -62.139
where: short stacking energy: -46.998
Base-Backbone interact. energy: -0.665
local terms energy: -70.276281
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -110.500928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.500928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.500928 (E_RNA)
where:
Base-Base interactions energy: -34.673
where: short stacking energy: -27.290
Base-Backbone interact. energy: 2.507
local terms energy: -78.334763
where:
bonds (distance) C4'-P energy: -20.064
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -11.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -95.973291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.973291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.973291 (E_RNA)
where:
Base-Base interactions energy: -26.177
where: short stacking energy: -25.252
Base-Backbone interact. energy: -0.584
local terms energy: -69.212642
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -21.104
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -1.275
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: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -106.475201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.475201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.475201 (E_RNA)
where:
Base-Base interactions energy: -44.595
where: short stacking energy: -44.595
Base-Backbone interact. energy: -0.173
local terms energy: -61.706873
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -6.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -229.171728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.171728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.171728 (E_RNA)
where:
Base-Base interactions energy: -128.680
where: short stacking energy: -82.377
Base-Backbone interact. energy: -0.235
local terms energy: -100.256685
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -19.795
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: 2, replica: 9
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -261.229672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.229672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.229672 (E_RNA)
where:
Base-Base interactions energy: -162.503
where: short stacking energy: -92.434
Base-Backbone interact. energy: -0.086
local terms energy: -98.640547
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -23.242
flat angles P-C4'-P energy: -10.492
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: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -233.952060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.952060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.952060 (E_RNA)
where:
Base-Base interactions energy: -134.416
where: short stacking energy: -83.361
Base-Backbone interact. energy: -0.145
local terms energy: -99.390797
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -24.621
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -226.469482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.469482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.469482 (E_RNA)
where:
Base-Base interactions energy: -132.800
where: short stacking energy: -81.037
Base-Backbone interact. energy: -0.037
local terms energy: -93.632183
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -21.749
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -143.427010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.427010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.427010 (E_RNA)
where:
Base-Base interactions energy: -65.185
where: short stacking energy: -46.582
Base-Backbone interact. energy: -0.193
local terms energy: -78.049370
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -24.782
flat angles P-C4'-P energy: -10.591
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: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -121.087514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.087514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.087514 (E_RNA)
where:
Base-Base interactions energy: -41.170
where: short stacking energy: -36.592
Base-Backbone interact. energy: -0.211
local terms energy: -79.706381
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -9.108
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: 7, replica: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -121.356945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.356945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.356945 (E_RNA)
where:
Base-Base interactions energy: -46.138
where: short stacking energy: -35.957
Base-Backbone interact. energy: -0.141
local terms energy: -75.077912
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -115.310694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.310694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.310694 (E_RNA)
where:
Base-Base interactions energy: -38.532
where: short stacking energy: -24.757
Base-Backbone interact. energy: 1.235
local terms energy: -78.013855
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: 1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -104.085420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.085420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.085420 (E_RNA)
where:
Base-Base interactions energy: -41.957
where: short stacking energy: -37.678
Base-Backbone interact. energy: -0.477
local terms energy: -61.651184
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -87.327556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.327556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.327556 (E_RNA)
where:
Base-Base interactions energy: -34.829
where: short stacking energy: -31.358
Base-Backbone interact. energy: 1.145
local terms energy: -53.643542
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -3.727
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -239.405129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.405129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.405129 (E_RNA)
where:
Base-Base interactions energy: -137.416
where: short stacking energy: -74.463
Base-Backbone interact. energy: -0.218
local terms energy: -101.771786
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -24.107
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -21.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -245.566294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.566294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.566294 (E_RNA)
where:
Base-Base interactions energy: -146.180
where: short stacking energy: -77.974
Base-Backbone interact. energy: -0.167
local terms energy: -99.219273
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -24.243
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: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -260.539796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.539796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.539796 (E_RNA)
where:
Base-Base interactions energy: -154.984
where: short stacking energy: -96.630
Base-Backbone interact. energy: -0.040
local terms energy: -105.516036
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -32.549
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: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -199.574199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.574199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.574199 (E_RNA)
where:
Base-Base interactions energy: -112.942
where: short stacking energy: -58.460
Base-Backbone interact. energy: -1.588
local terms energy: -85.044254
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -14.976
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: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -133.390334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.390334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.390334 (E_RNA)
where:
Base-Base interactions energy: -53.061
where: short stacking energy: -47.371
Base-Backbone interact. energy: 0.735
local terms energy: -81.063954
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -127.658925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.658925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.658925 (E_RNA)
where:
Base-Base interactions energy: -52.562
where: short stacking energy: -52.562
Base-Backbone interact. energy: -0.116
local terms energy: -74.980564
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -124.153022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.153022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.153022 (E_RNA)
where:
Base-Base interactions energy: -43.970
where: short stacking energy: -42.621
Base-Backbone interact. energy: -1.487
local terms energy: -78.695415
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -20.828
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -107.114307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.114307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.114307 (E_RNA)
where:
Base-Base interactions energy: -39.914
where: short stacking energy: -29.401
Base-Backbone interact. energy: -0.099
local terms energy: -67.101122
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -18.999
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -96.783797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.783797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.783797 (E_RNA)
where:
Base-Base interactions energy: -32.379
where: short stacking energy: -23.419
Base-Backbone interact. energy: 1.547
local terms energy: -65.951605
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -102.718485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.718485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.718485 (E_RNA)
where:
Base-Base interactions energy: -30.584
where: short stacking energy: -30.584
Base-Backbone interact. energy: 1.453
local terms energy: -73.587595
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -9.254
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: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -260.677410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.677410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.677410 (E_RNA)
where:
Base-Base interactions energy: -150.338
where: short stacking energy: -85.776
Base-Backbone interact. energy: -0.683
local terms energy: -109.656730
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -22.506
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: -24.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -241.635267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.635267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.635267 (E_RNA)
where:
Base-Base interactions energy: -136.874
where: short stacking energy: -97.170
Base-Backbone interact. energy: -0.183
local terms energy: -104.577841
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -16.831
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: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -249.281659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.281659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.281659 (E_RNA)
where:
Base-Base interactions energy: -151.640
where: short stacking energy: -96.136
Base-Backbone interact. energy: 0.523
local terms energy: -98.164671
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -26.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -220.061330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.061330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.061330 (E_RNA)
where:
Base-Base interactions energy: -122.331
where: short stacking energy: -61.981
Base-Backbone interact. energy: -0.135
local terms energy: -97.595725
where:
bonds (distance) C4'-P energy: -23.311
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -143.951552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.951552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.951552 (E_RNA)
where:
Base-Base interactions energy: -64.156
where: short stacking energy: -52.813
Base-Backbone interact. energy: -0.521
local terms energy: -79.274230
where:
bonds (distance) C4'-P energy: -20.802
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -123.419217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.419217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.419217 (E_RNA)
where:
Base-Base interactions energy: -44.000
where: short stacking energy: -44.200
Base-Backbone interact. energy: -0.173
local terms energy: -79.246280
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -24.286
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -122.346290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.346290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.346290 (E_RNA)
where:
Base-Base interactions energy: -42.019
where: short stacking energy: -42.019
Base-Backbone interact. energy: -0.563
local terms energy: -79.764477
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -23.453
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -107.879228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.879228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.879228 (E_RNA)
where:
Base-Base interactions energy: -32.969
where: short stacking energy: -32.969
Base-Backbone interact. energy: -1.081
local terms energy: -73.829510
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -110.525508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.525508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.525508 (E_RNA)
where:
Base-Base interactions energy: -43.774
where: short stacking energy: -28.138
Base-Backbone interact. energy: 0.390
local terms energy: -67.141016
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -6.316
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: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -99.457586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.457586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.457586 (E_RNA)
where:
Base-Base interactions energy: -37.280
where: short stacking energy: -31.339
Base-Backbone interact. energy: -0.195
local terms energy: -61.982141
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -7.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -262.174219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.174219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.174219 (E_RNA)
where:
Base-Base interactions energy: -152.659
where: short stacking energy: -90.834
Base-Backbone interact. energy: -0.015
local terms energy: -109.500175
where:
bonds (distance) C4'-P energy: -22.847
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -24.380
flat angles P-C4'-P energy: -17.522
tors. eta vs tors. theta energy: -22.097
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: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -254.983704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.983704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.983704 (E_RNA)
where:
Base-Base interactions energy: -150.288
where: short stacking energy: -92.908
Base-Backbone interact. energy: -0.060
local terms energy: -104.636415
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -25.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -219.787407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.787407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.787407 (E_RNA)
where:
Base-Base interactions energy: -117.184
where: short stacking energy: -77.648
Base-Backbone interact. energy: -0.071
local terms energy: -102.531732
where:
bonds (distance) C4'-P energy: -21.368
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -26.059
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: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -209.921920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.921920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.921920 (E_RNA)
where:
Base-Base interactions energy: -117.125
where: short stacking energy: -73.103
Base-Backbone interact. energy: -0.583
local terms energy: -92.213490
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -142.234724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.234724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.234724 (E_RNA)
where:
Base-Base interactions energy: -54.058
where: short stacking energy: -54.058
Base-Backbone interact. energy: 0.137
local terms energy: -88.313556
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -148.440112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.440112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.440112 (E_RNA)
where:
Base-Base interactions energy: -74.120
where: short stacking energy: -62.688
Base-Backbone interact. energy: -0.348
local terms energy: -73.972446
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -8.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -124.233003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.233003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.233003 (E_RNA)
where:
Base-Base interactions energy: -52.390
where: short stacking energy: -50.231
Base-Backbone interact. energy: -0.003
local terms energy: -71.839569
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -105.574801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.574801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.574801 (E_RNA)
where:
Base-Base interactions energy: -33.839
where: short stacking energy: -33.839
Base-Backbone interact. energy: -0.071
local terms energy: -71.664327
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -109.021795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.021795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.021795 (E_RNA)
where:
Base-Base interactions energy: -33.773
where: short stacking energy: -32.415
Base-Backbone interact. energy: 0.143
local terms energy: -75.391916
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -22.438
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -111.776048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.776048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.776048 (E_RNA)
where:
Base-Base interactions energy: -34.986
where: short stacking energy: -34.626
Base-Backbone interact. energy: -0.193
local terms energy: -76.597047
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -262.789865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.789865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.789865 (E_RNA)
where:
Base-Base interactions energy: -156.640
where: short stacking energy: -96.721
Base-Backbone interact. energy: -0.375
local terms energy: -105.774491
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -26.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -265.348304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.348304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.348304 (E_RNA)
where:
Base-Base interactions energy: -159.127
where: short stacking energy: -98.417
Base-Backbone interact. energy: -0.004
local terms energy: -106.217654
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -27.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -242.885201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.885201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.885201 (E_RNA)
where:
Base-Base interactions energy: -145.435
where: short stacking energy: -98.745
Base-Backbone interact. energy: -0.294
local terms energy: -97.157117
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -27.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -218.095561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.095561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.095561 (E_RNA)
where:
Base-Base interactions energy: -122.868
where: short stacking energy: -79.427
Base-Backbone interact. energy: -0.373
local terms energy: -94.855271
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -24.528
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: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -138.702989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.702989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.702989 (E_RNA)
where:
Base-Base interactions energy: -60.916
where: short stacking energy: -57.353
Base-Backbone interact. energy: -0.036
local terms energy: -77.750449
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -122.451980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.451980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.451980 (E_RNA)
where:
Base-Base interactions energy: -49.371
where: short stacking energy: -49.371
Base-Backbone interact. energy: 0.078
local terms energy: -73.158872
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -4.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -105.571249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.571249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.571249 (E_RNA)
where:
Base-Base interactions energy: -42.071
where: short stacking energy: -26.151
Base-Backbone interact. energy: -0.276
local terms energy: -63.224673
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -0.315
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: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -108.600680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.600680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.600680 (E_RNA)
where:
Base-Base interactions energy: -34.035
where: short stacking energy: -34.035
Base-Backbone interact. energy: -0.045
local terms energy: -74.520150
where:
bonds (distance) C4'-P energy: -19.899
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -6.058
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: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -135.924097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.924097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.924097 (E_RNA)
where:
Base-Base interactions energy: -62.426
where: short stacking energy: -61.621
Base-Backbone interact. energy: -0.631
local terms energy: -72.867488
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -98.969077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.969077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.969077 (E_RNA)
where:
Base-Base interactions energy: -29.986
where: short stacking energy: -27.458
Base-Backbone interact. energy: -0.440
local terms energy: -68.544019
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: 0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -271.412728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.412728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.412728 (E_RNA)
where:
Base-Base interactions energy: -160.567
where: short stacking energy: -97.623
Base-Backbone interact. energy: 0.074
local terms energy: -110.920202
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: -25.010
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: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -244.368320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.368320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.368320 (E_RNA)
where:
Base-Base interactions energy: -147.789
where: short stacking energy: -82.655
Base-Backbone interact. energy: -0.458
local terms energy: -96.122157
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -217.629194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.629194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.629194 (E_RNA)
where:
Base-Base interactions energy: -112.216
where: short stacking energy: -65.844
Base-Backbone interact. energy: -0.246
local terms energy: -105.167151
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -24.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -137.045059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.045059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.045059 (E_RNA)
where:
Base-Base interactions energy: -52.811
where: short stacking energy: -45.968
Base-Backbone interact. energy: -0.088
local terms energy: -84.146822
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -6.522
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: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -196.745570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.745570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.745570 (E_RNA)
where:
Base-Base interactions energy: -112.289
where: short stacking energy: -59.969
Base-Backbone interact. energy: -0.200
local terms energy: -84.256247
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -117.542174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.542174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.542174 (E_RNA)
where:
Base-Base interactions energy: -47.442
where: short stacking energy: -41.331
Base-Backbone interact. energy: -0.157
local terms energy: -69.943472
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -21.125
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -117.781849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.781849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.781849 (E_RNA)
where:
Base-Base interactions energy: -42.970
where: short stacking energy: -41.604
Base-Backbone interact. energy: 0.081
local terms energy: -74.892670
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -118.848942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.848942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.848942 (E_RNA)
where:
Base-Base interactions energy: -51.788
where: short stacking energy: -42.505
Base-Backbone interact. energy: 0.438
local terms energy: -67.499501
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -21.333
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -101.779685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.779685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.779685 (E_RNA)
where:
Base-Base interactions energy: -54.500
where: short stacking energy: -26.502
Base-Backbone interact. energy: -0.475
local terms energy: -46.804485
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -8.584
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: 5.202
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: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -97.824001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.824001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.824001 (E_RNA)
where:
Base-Base interactions energy: -34.586
where: short stacking energy: -34.586
Base-Backbone interact. energy: -0.101
local terms energy: -63.137265
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -5.026
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: 366
Temperature: 0.900000
Total energy: -263.805122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.805122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.805122 (E_RNA)
where:
Base-Base interactions energy: -164.962
where: short stacking energy: -94.054
Base-Backbone interact. energy: 0.363
local terms energy: -99.206167
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -25.639
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: 9
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -240.543776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.543776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.543776 (E_RNA)
where:
Base-Base interactions energy: -148.959
where: short stacking energy: -89.341
Base-Backbone interact. energy: -0.168
local terms energy: -91.416735
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -21.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -219.754560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.754560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.754560 (E_RNA)
where:
Base-Base interactions energy: -124.973
where: short stacking energy: -78.346
Base-Backbone interact. energy: -0.947
local terms energy: -93.834467
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -19.342
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: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -146.516333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.516333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.516333 (E_RNA)
where:
Base-Base interactions energy: -64.329
where: short stacking energy: -60.084
Base-Backbone interact. energy: -0.073
local terms energy: -82.113772
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -15.796
tors. eta vs tors. theta energy: -12.850
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: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -213.612910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.612910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.612910 (E_RNA)
where:
Base-Base interactions energy: -123.694
where: short stacking energy: -83.569
Base-Backbone interact. energy: -0.087
local terms energy: -89.831663
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -16.513
tors. eta vs tors. theta energy: -22.097
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: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -136.814264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.814264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.814264 (E_RNA)
where:
Base-Base interactions energy: -56.092
where: short stacking energy: -50.779
Base-Backbone interact. energy: -0.016
local terms energy: -80.706721
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -2.109
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -114.371904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.371904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.371904 (E_RNA)
where:
Base-Base interactions energy: -41.484
where: short stacking energy: -41.484
Base-Backbone interact. energy: -0.270
local terms energy: -72.617857
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -8.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -112.169314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.169314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.169314 (E_RNA)
where:
Base-Base interactions energy: -45.059
where: short stacking energy: -29.154
Base-Backbone interact. energy: 0.864
local terms energy: -67.974717
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -12.568
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: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -99.592469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.592469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.592469 (E_RNA)
where:
Base-Base interactions energy: -44.085
where: short stacking energy: -34.902
Base-Backbone interact. energy: 1.990
local terms energy: -57.497408
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: 3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -104.189616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.189616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.189616 (E_RNA)
where:
Base-Base interactions energy: -41.790
where: short stacking energy: -27.388
Base-Backbone interact. energy: -0.576
local terms energy: -61.823181
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: 3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -264.057376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.057376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.057376 (E_RNA)
where:
Base-Base interactions energy: -163.423
where: short stacking energy: -96.835
Base-Backbone interact. energy: 1.000
local terms energy: -101.634064
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -27.463
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: 2, replica: 9
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -251.498898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.498898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.498898 (E_RNA)
where:
Base-Base interactions energy: -147.826
where: short stacking energy: -100.171
Base-Backbone interact. energy: -0.082
local terms energy: -103.590511
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -26.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -225.671807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.671807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.671807 (E_RNA)
where:
Base-Base interactions energy: -134.617
where: short stacking energy: -69.967
Base-Backbone interact. energy: 2.955
local terms energy: -94.009537
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -214.300700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.300700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.300700 (E_RNA)
where:
Base-Base interactions energy: -124.742
where: short stacking energy: -74.434
Base-Backbone interact. energy: -0.180
local terms energy: -89.378893
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -154.962944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.962944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.962944 (E_RNA)
where:
Base-Base interactions energy: -69.488
where: short stacking energy: -55.396
Base-Backbone interact. energy: -0.041
local terms energy: -85.433495
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -14.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -122.638469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.638469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.638469 (E_RNA)
where:
Base-Base interactions energy: -46.036
where: short stacking energy: -38.020
Base-Backbone interact. energy: 0.271
local terms energy: -76.873390
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -114.648977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.648977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.648977 (E_RNA)
where:
Base-Base interactions energy: -44.402
where: short stacking energy: -44.402
Base-Backbone interact. energy: -0.048
local terms energy: -70.199585
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -111.459566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.459566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.459566 (E_RNA)
where:
Base-Base interactions energy: -43.279
where: short stacking energy: -43.279
Base-Backbone interact. energy: 0.029
local terms energy: -68.208980
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -102.870482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.870482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.870482 (E_RNA)
where:
Base-Base interactions energy: -39.445
where: short stacking energy: -32.431
Base-Backbone interact. energy: -0.860
local terms energy: -62.565678
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: 2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -90.341788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.341788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.341788 (E_RNA)
where:
Base-Base interactions energy: -33.039
where: short stacking energy: -24.778
Base-Backbone interact. energy: 1.348
local terms energy: -58.650282
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -249.929810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.929810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.929810 (E_RNA)
where:
Base-Base interactions energy: -149.115
where: short stacking energy: -95.423
Base-Backbone interact. energy: -0.043
local terms energy: -100.771604
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -23.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -259.193681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.193681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.193681 (E_RNA)
where:
Base-Base interactions energy: -155.625
where: short stacking energy: -91.123
Base-Backbone interact. energy: -0.030
local terms energy: -103.538280
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -23.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -247.552961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.552961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.552961 (E_RNA)
where:
Base-Base interactions energy: -152.226
where: short stacking energy: -83.349
Base-Backbone interact. energy: -0.004
local terms energy: -95.322726
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -21.040
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -22.689
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: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -202.563863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.563863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.563863 (E_RNA)
where:
Base-Base interactions energy: -111.485
where: short stacking energy: -69.828
Base-Backbone interact. energy: 0.265
local terms energy: -91.343808
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -23.470
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -10.908
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: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -142.811042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.811042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.811042 (E_RNA)
where:
Base-Base interactions energy: -60.080
where: short stacking energy: -52.884
Base-Backbone interact. energy: -1.091
local terms energy: -81.639596
where:
bonds (distance) C4'-P energy: -24.739
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -131.665478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.665478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.665478 (E_RNA)
where:
Base-Base interactions energy: -65.893
where: short stacking energy: -37.612
Base-Backbone interact. energy: -0.639
local terms energy: -65.133328
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -113.517540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.517540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.517540 (E_RNA)
where:
Base-Base interactions energy: -40.039
where: short stacking energy: -30.489
Base-Backbone interact. energy: -0.065
local terms energy: -73.413332
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -111.399690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.399690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.399690 (E_RNA)
where:
Base-Base interactions energy: -44.322
where: short stacking energy: -37.922
Base-Backbone interact. energy: 0.443
local terms energy: -67.521598
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -109.945667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.945667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.945667 (E_RNA)
where:
Base-Base interactions energy: -46.178
where: short stacking energy: -46.178
Base-Backbone interact. energy: 0.031
local terms energy: -63.798840
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: 0.921
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -100.660437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.660437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.660437 (E_RNA)
where:
Base-Base interactions energy: -36.829
where: short stacking energy: -36.829
Base-Backbone interact. energy: -1.037
local terms energy: -62.794615
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -9.754
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: 1, replica: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -244.925582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.925582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.925582 (E_RNA)
where:
Base-Base interactions energy: -141.850
where: short stacking energy: -87.254
Base-Backbone interact. energy: -0.331
local terms energy: -102.745150
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -23.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -233.327728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.327728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.327728 (E_RNA)
where:
Base-Base interactions energy: -146.106
where: short stacking energy: -78.327
Base-Backbone interact. energy: -0.103
local terms energy: -87.118290
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -243.605841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.605841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.605841 (E_RNA)
where:
Base-Base interactions energy: -142.388
where: short stacking energy: -77.471
Base-Backbone interact. energy: 0.840
local terms energy: -102.057641
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -24.872
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: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -152.981077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.981077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.981077 (E_RNA)
where:
Base-Base interactions energy: -69.224
where: short stacking energy: -52.611
Base-Backbone interact. energy: -0.059
local terms energy: -83.698366
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -199.798406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.798406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.798406 (E_RNA)
where:
Base-Base interactions energy: -113.917
where: short stacking energy: -73.421
Base-Backbone interact. energy: -0.147
local terms energy: -85.734789
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -22.154
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -134.852013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.852013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.852013 (E_RNA)
where:
Base-Base interactions energy: -49.234
where: short stacking energy: -48.495
Base-Backbone interact. energy: -0.018
local terms energy: -85.599489
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -10.507
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: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -120.290562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.290562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.290562 (E_RNA)
where:
Base-Base interactions energy: -44.048
where: short stacking energy: -44.563
Base-Backbone interact. energy: -0.087
local terms energy: -76.155564
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -10.354
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: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -109.118206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.118206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.118206 (E_RNA)
where:
Base-Base interactions energy: -34.799
where: short stacking energy: -24.421
Base-Backbone interact. energy: -1.719
local terms energy: -72.600573
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -111.293500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.293500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.293500 (E_RNA)
where:
Base-Base interactions energy: -41.610
where: short stacking energy: -31.037
Base-Backbone interact. energy: -0.054
local terms energy: -69.629175
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -6.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -109.532967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.532967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.532967 (E_RNA)
where:
Base-Base interactions energy: -37.961
where: short stacking energy: -37.961
Base-Backbone interact. energy: -0.052
local terms energy: -71.519798
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -245.298001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.298001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.298001 (E_RNA)
where:
Base-Base interactions energy: -142.764
where: short stacking energy: -84.594
Base-Backbone interact. energy: -0.722
local terms energy: -101.812396
where:
bonds (distance) C4'-P energy: -23.846
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -20.141
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: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -248.766122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.766122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.766122 (E_RNA)
where:
Base-Base interactions energy: -140.413
where: short stacking energy: -88.026
Base-Backbone interact. energy: -0.106
local terms energy: -108.246882
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -27.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -241.256939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.256939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.256939 (E_RNA)
where:
Base-Base interactions energy: -141.280
where: short stacking energy: -80.320
Base-Backbone interact. energy: -0.328
local terms energy: -99.648785
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -23.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -135.000051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.000051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.000051 (E_RNA)
where:
Base-Base interactions energy: -59.053
where: short stacking energy: -40.754
Base-Backbone interact. energy: -0.697
local terms energy: -75.249917
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -193.784494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.784494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.784494 (E_RNA)
where:
Base-Base interactions energy: -107.724
where: short stacking energy: -70.255
Base-Backbone interact. energy: -0.100
local terms energy: -85.960970
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -115.031378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.031378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.031378 (E_RNA)
where:
Base-Base interactions energy: -40.875
where: short stacking energy: -36.987
Base-Backbone interact. energy: -0.287
local terms energy: -73.869781
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -21.943
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -152.627236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.627236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.627236 (E_RNA)
where:
Base-Base interactions energy: -78.571
where: short stacking energy: -49.576
Base-Backbone interact. energy: -0.085
local terms energy: -73.970830
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -114.303659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.303659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.303659 (E_RNA)
where:
Base-Base interactions energy: -38.940
where: short stacking energy: -36.969
Base-Backbone interact. energy: -0.676
local terms energy: -74.687841
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -25.573
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -97.391224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.391224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.391224 (E_RNA)
where:
Base-Base interactions energy: -28.127
where: short stacking energy: -21.118
Base-Backbone interact. energy: -0.331
local terms energy: -68.933055
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: 2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -97.760664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.760664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.760664 (E_RNA)
where:
Base-Base interactions energy: -33.303
where: short stacking energy: -29.335
Base-Backbone interact. energy: 0.010
local terms energy: -64.468439
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: 1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -239.311098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.311098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.311098 (E_RNA)
where:
Base-Base interactions energy: -136.985
where: short stacking energy: -81.343
Base-Backbone interact. energy: -0.254
local terms energy: -102.071900
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -250.538920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.538920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.538920 (E_RNA)
where:
Base-Base interactions energy: -144.450
where: short stacking energy: -92.025
Base-Backbone interact. energy: 0.135
local terms energy: -106.224487
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -28.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -242.649817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.649817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.649817 (E_RNA)
where:
Base-Base interactions energy: -146.138
where: short stacking energy: -85.552
Base-Backbone interact. energy: -0.701
local terms energy: -95.810898
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -22.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -193.759082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.759082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.759082 (E_RNA)
where:
Base-Base interactions energy: -113.625
where: short stacking energy: -70.630
Base-Backbone interact. energy: -0.094
local terms energy: -80.039320
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -160.748546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.748546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.748546 (E_RNA)
where:
Base-Base interactions energy: -78.988
where: short stacking energy: -51.435
Base-Backbone interact. energy: -0.088
local terms energy: -81.672438
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -12.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -137.997703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.997703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.997703 (E_RNA)
where:
Base-Base interactions energy: -70.261
where: short stacking energy: -44.798
Base-Backbone interact. energy: 0.312
local terms energy: -68.048417
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -10.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -121.824423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.824423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.824423 (E_RNA)
where:
Base-Base interactions energy: -50.932
where: short stacking energy: -39.157
Base-Backbone interact. energy: -1.060
local terms energy: -69.832379
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -121.204840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.204840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.204840 (E_RNA)
where:
Base-Base interactions energy: -49.382
where: short stacking energy: -49.382
Base-Backbone interact. energy: -0.133
local terms energy: -71.689758
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -9.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -99.097969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.097969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.097969 (E_RNA)
where:
Base-Base interactions energy: -25.368
where: short stacking energy: -21.105
Base-Backbone interact. energy: -0.437
local terms energy: -73.293239
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: 1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -101.343806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.343806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.343806 (E_RNA)
where:
Base-Base interactions energy: -32.561
where: short stacking energy: -32.561
Base-Backbone interact. energy: -0.541
local terms energy: -68.241878
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -264.610824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.610824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.610824 (E_RNA)
where:
Base-Base interactions energy: -151.024
where: short stacking energy: -100.695
Base-Backbone interact. energy: -0.001
local terms energy: -113.585925
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -31.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -255.877357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.877357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.877357 (E_RNA)
where:
Base-Base interactions energy: -144.205
where: short stacking energy: -106.946
Base-Backbone interact. energy: -0.004
local terms energy: -111.668620
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -18.751
tors. eta vs tors. theta energy: -31.645
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: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -202.302875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.302875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.302875 (E_RNA)
where:
Base-Base interactions energy: -112.679
where: short stacking energy: -64.589
Base-Backbone interact. energy: -0.115
local terms energy: -89.508512
where:
bonds (distance) C4'-P energy: -20.875
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -14.190
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: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -228.817289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.817289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.817289 (E_RNA)
where:
Base-Base interactions energy: -126.388
where: short stacking energy: -71.322
Base-Backbone interact. energy: -0.263
local terms energy: -102.166775
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -26.385
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -20.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -128.483930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.483930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.483930 (E_RNA)
where:
Base-Base interactions energy: -56.647
where: short stacking energy: -43.794
Base-Backbone interact. energy: -0.189
local terms energy: -71.647882
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -20.364
flat angles P-C4'-P energy: -3.734
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -136.188243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.188243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.188243 (E_RNA)
where:
Base-Base interactions energy: -57.576
where: short stacking energy: -48.830
Base-Backbone interact. energy: -1.299
local terms energy: -77.313641
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -128.266612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.266612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.266612 (E_RNA)
where:
Base-Base interactions energy: -46.219
where: short stacking energy: -46.219
Base-Backbone interact. energy: -0.035
local terms energy: -82.012636
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -11.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -114.062054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.062054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.062054 (E_RNA)
where:
Base-Base interactions energy: -37.266
where: short stacking energy: -37.266
Base-Backbone interact. energy: -0.165
local terms energy: -76.631733
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -24.259
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -103.988642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.988642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.988642 (E_RNA)
where:
Base-Base interactions energy: -35.477
where: short stacking energy: -35.477
Base-Backbone interact. energy: 1.967
local terms energy: -70.479192
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -97.958101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.958101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.958101 (E_RNA)
where:
Base-Base interactions energy: -33.972
where: short stacking energy: -32.164
Base-Backbone interact. energy: -0.401
local terms energy: -63.585382
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: 2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -264.333710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.333710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.333710 (E_RNA)
where:
Base-Base interactions energy: -143.671
where: short stacking energy: -92.541
Base-Backbone interact. energy: -0.634
local terms energy: -120.028509
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -25.605
flat angles C4'-P-C4' energy: -25.896
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -30.504
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: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -257.189216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.189216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.189216 (E_RNA)
where:
Base-Base interactions energy: -142.860
where: short stacking energy: -92.262
Base-Backbone interact. energy: -0.008
local terms energy: -114.321612
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -33.555
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: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -235.551660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.551660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.551660 (E_RNA)
where:
Base-Base interactions energy: -134.680
where: short stacking energy: -91.849
Base-Backbone interact. energy: -0.100
local terms energy: -100.771672
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -17.295
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: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -207.073738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.073738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.073738 (E_RNA)
where:
Base-Base interactions energy: -123.208
where: short stacking energy: -65.821
Base-Backbone interact. energy: -0.892
local terms energy: -82.973690
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: -16.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -134.290907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.290907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.290907 (E_RNA)
where:
Base-Base interactions energy: -61.635
where: short stacking energy: -45.369
Base-Backbone interact. energy: -0.197
local terms energy: -72.458850
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -128.173568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.173568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.173568 (E_RNA)
where:
Base-Base interactions energy: -51.485
where: short stacking energy: -44.959
Base-Backbone interact. energy: 0.461
local terms energy: -77.150378
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -128.085715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.085715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.085715 (E_RNA)
where:
Base-Base interactions energy: -46.082
where: short stacking energy: -44.109
Base-Backbone interact. energy: -0.330
local terms energy: -81.673449
where:
bonds (distance) C4'-P energy: -21.116
bonds (distance) P-C4' energy: -23.071
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -115.125030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.125030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.125030 (E_RNA)
where:
Base-Base interactions energy: -33.935
where: short stacking energy: -33.935
Base-Backbone interact. energy: -0.091
local terms energy: -81.098693
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -11.066
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: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -113.114645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.114645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.114645 (E_RNA)
where:
Base-Base interactions energy: -34.047
where: short stacking energy: -34.138
Base-Backbone interact. energy: -0.304
local terms energy: -78.763593
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -8.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -124.319032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.319032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.319032 (E_RNA)
where:
Base-Base interactions energy: -46.500
where: short stacking energy: -37.731
Base-Backbone interact. energy: -0.208
local terms energy: -77.610402
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -10.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -261.759195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.759195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.759195 (E_RNA)
where:
Base-Base interactions energy: -158.015
where: short stacking energy: -91.699
Base-Backbone interact. energy: -0.151
local terms energy: -103.592787
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -27.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -252.046689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.046689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.046689 (E_RNA)
where:
Base-Base interactions energy: -143.995
where: short stacking energy: -93.502
Base-Backbone interact. energy: -0.101
local terms energy: -107.950404
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -22.300
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -26.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -224.980235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.980235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.980235 (E_RNA)
where:
Base-Base interactions energy: -137.952
where: short stacking energy: -72.381
Base-Backbone interact. energy: -0.521
local terms energy: -86.507207
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -18.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -211.608187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.608187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.608187 (E_RNA)
where:
Base-Base interactions energy: -116.360
where: short stacking energy: -77.464
Base-Backbone interact. energy: -0.195
local terms energy: -95.052956
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -22.300
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -21.711
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: 374
Temperature: 1.100000
Total energy: -138.294165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.294165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.294165 (E_RNA)
where:
Base-Base interactions energy: -54.099
where: short stacking energy: -49.320
Base-Backbone interact. energy: 2.670
local terms energy: -86.864968
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -10.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -141.856260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.856260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.856260 (E_RNA)
where:
Base-Base interactions energy: -54.690
where: short stacking energy: -54.690
Base-Backbone interact. energy: -0.083
local terms energy: -87.083667
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -16.793
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: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -117.794978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.794978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.794978 (E_RNA)
where:
Base-Base interactions energy: -37.993
where: short stacking energy: -29.564
Base-Backbone interact. energy: 0.875
local terms energy: -80.677532
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -3.711
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: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -117.584988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.584988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.584988 (E_RNA)
where:
Base-Base interactions energy: -43.668
where: short stacking energy: -43.567
Base-Backbone interact. energy: -0.406
local terms energy: -73.510739
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -9.464
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: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -107.523811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.523811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.523811 (E_RNA)
where:
Base-Base interactions energy: -42.272
where: short stacking energy: -42.272
Base-Backbone interact. energy: -0.080
local terms energy: -65.172442
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -5.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -94.191011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.191011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.191011 (E_RNA)
where:
Base-Base interactions energy: -34.881
where: short stacking energy: -34.881
Base-Backbone interact. energy: -1.148
local terms energy: -58.162346
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: 5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -262.736110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.736110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.736110 (E_RNA)
where:
Base-Base interactions energy: -156.701
where: short stacking energy: -105.526
Base-Backbone interact. energy: -0.115
local terms energy: -105.920281
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -26.341
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: 2, replica: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -255.759660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.759660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.759660 (E_RNA)
where:
Base-Base interactions energy: -150.055
where: short stacking energy: -95.505
Base-Backbone interact. energy: -0.024
local terms energy: -105.680428
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -27.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -221.363628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.363628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.363628 (E_RNA)
where:
Base-Base interactions energy: -121.281
where: short stacking energy: -74.217
Base-Backbone interact. energy: -0.043
local terms energy: -100.039662
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -19.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -214.599630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.599630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.599630 (E_RNA)
where:
Base-Base interactions energy: -120.567
where: short stacking energy: -67.501
Base-Backbone interact. energy: 0.407
local terms energy: -94.438909
where:
bonds (distance) C4'-P energy: -20.088
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -132.055542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.055542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.055542 (E_RNA)
where:
Base-Base interactions energy: -50.984
where: short stacking energy: -50.984
Base-Backbone interact. energy: 2.026
local terms energy: -83.097133
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -121.333130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.333130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.333130 (E_RNA)
where:
Base-Base interactions energy: -49.268
where: short stacking energy: -37.199
Base-Backbone interact. energy: 1.246
local terms energy: -73.311966
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -9.767
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: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -125.880508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.880508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.880508 (E_RNA)
where:
Base-Base interactions energy: -48.298
where: short stacking energy: -39.718
Base-Backbone interact. energy: -0.223
local terms energy: -77.359856
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -109.688965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.688965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.688965 (E_RNA)
where:
Base-Base interactions energy: -47.600
where: short stacking energy: -26.656
Base-Backbone interact. energy: -2.083
local terms energy: -60.006736
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: 2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -103.561660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.561660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.561660 (E_RNA)
where:
Base-Base interactions energy: -37.255
where: short stacking energy: -31.703
Base-Backbone interact. energy: -0.463
local terms energy: -65.844431
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -92.398246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.398246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.398246 (E_RNA)
where:
Base-Base interactions energy: -32.490
where: short stacking energy: -29.155
Base-Backbone interact. energy: -0.183
local terms energy: -59.725779
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: -1.203
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: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -260.709832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.709832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.709832 (E_RNA)
where:
Base-Base interactions energy: -148.042
where: short stacking energy: -95.258
Base-Backbone interact. energy: -0.263
local terms energy: -112.404641
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -32.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -239.281104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.281104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.281104 (E_RNA)
where:
Base-Base interactions energy: -136.934
where: short stacking energy: -83.887
Base-Backbone interact. energy: -0.282
local terms energy: -102.064746
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -23.674
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -23.489
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: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -228.861322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.861322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.861322 (E_RNA)
where:
Base-Base interactions energy: -132.633
where: short stacking energy: -76.272
Base-Backbone interact. energy: -0.601
local terms energy: -95.627583
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -19.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -208.706277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.706277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.706277 (E_RNA)
where:
Base-Base interactions energy: -113.338
where: short stacking energy: -73.488
Base-Backbone interact. energy: -0.298
local terms energy: -95.070131
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -138.445093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.445093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.445093 (E_RNA)
where:
Base-Base interactions energy: -58.151
where: short stacking energy: -47.219
Base-Backbone interact. energy: -0.409
local terms energy: -79.885023
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -10.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -126.922104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.922104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.922104 (E_RNA)
where:
Base-Base interactions energy: -43.064
where: short stacking energy: -41.916
Base-Backbone interact. energy: -0.583
local terms energy: -83.275925
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -12.085
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: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -118.069348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.069348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.069348 (E_RNA)
where:
Base-Base interactions energy: -50.674
where: short stacking energy: -35.047
Base-Backbone interact. energy: -0.459
local terms energy: -66.936580
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -7.910
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: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -119.623675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.623675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.623675 (E_RNA)
where:
Base-Base interactions energy: -51.118
where: short stacking energy: -34.397
Base-Backbone interact. energy: -0.258
local terms energy: -68.247324
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -104.648511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.648511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.648511 (E_RNA)
where:
Base-Base interactions energy: -30.345
where: short stacking energy: -29.466
Base-Backbone interact. energy: -0.798
local terms energy: -73.504810
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -100.050953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.050953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.050953 (E_RNA)
where:
Base-Base interactions energy: -32.354
where: short stacking energy: -32.454
Base-Backbone interact. energy: -0.178
local terms energy: -67.518319
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -258.208695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.208695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.208695 (E_RNA)
where:
Base-Base interactions energy: -148.370
where: short stacking energy: -98.096
Base-Backbone interact. energy: -0.043
local terms energy: -109.795731
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -23.797
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -29.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -249.729527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.729527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.729527 (E_RNA)
where:
Base-Base interactions energy: -145.354
where: short stacking energy: -82.201
Base-Backbone interact. energy: -0.019
local terms energy: -104.356216
where:
bonds (distance) C4'-P energy: -24.335
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -22.691
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: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -235.971893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.971893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.971893 (E_RNA)
where:
Base-Base interactions energy: -133.796
where: short stacking energy: -87.194
Base-Backbone interact. energy: -0.080
local terms energy: -102.095804
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -26.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -228.714107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.714107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.714107 (E_RNA)
where:
Base-Base interactions energy: -131.946
where: short stacking energy: -87.106
Base-Backbone interact. energy: -0.211
local terms energy: -96.557287
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -24.258
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: 377
Temperature: 1.100000
Total energy: -137.548616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.548616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.548616 (E_RNA)
where:
Base-Base interactions energy: -55.728
where: short stacking energy: -55.728
Base-Backbone interact. energy: -0.171
local terms energy: -81.649843
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -10.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -141.264339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.264339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.264339 (E_RNA)
where:
Base-Base interactions energy: -59.973
where: short stacking energy: -43.048
Base-Backbone interact. energy: -0.271
local terms energy: -81.020669
where:
bonds (distance) C4'-P energy: -25.243
bonds (distance) P-C4' energy: -23.985
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -10.495
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: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -114.085192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.085192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.085192 (E_RNA)
where:
Base-Base interactions energy: -42.132
where: short stacking energy: -38.031
Base-Backbone interact. energy: -0.155
local terms energy: -71.797485
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -4.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -109.288262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.288262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.288262 (E_RNA)
where:
Base-Base interactions energy: -39.138
where: short stacking energy: -38.502
Base-Backbone interact. energy: 0.502
local terms energy: -70.652689
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -18.824
flat angles C4'-P-C4' energy: -21.175
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -107.921552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.921552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.921552 (E_RNA)
where:
Base-Base interactions energy: -43.952
where: short stacking energy: -43.075
Base-Backbone interact. energy: -0.178
local terms energy: -63.791031
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -108.020535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.020535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.020535 (E_RNA)
where:
Base-Base interactions energy: -40.385
where: short stacking energy: -40.385
Base-Backbone interact. energy: -0.059
local terms energy: -67.576523
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -15.001
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: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -252.351875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.351875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.351875 (E_RNA)
where:
Base-Base interactions energy: -159.258
where: short stacking energy: -94.257
Base-Backbone interact. energy: 1.011
local terms energy: -94.104310
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -265.574527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.574527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.574527 (E_RNA)
where:
Base-Base interactions energy: -157.283
where: short stacking energy: -101.687
Base-Backbone interact. energy: -0.001
local terms energy: -108.289818
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -22.208
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -33.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -226.684526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.684526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.684526 (E_RNA)
where:
Base-Base interactions energy: -129.787
where: short stacking energy: -87.981
Base-Backbone interact. energy: -0.106
local terms energy: -96.791655
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -15.199
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: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -196.687869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.687869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.687869 (E_RNA)
where:
Base-Base interactions energy: -117.364
where: short stacking energy: -74.982
Base-Backbone interact. energy: -0.290
local terms energy: -79.033214
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -153.708431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.708431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.708431 (E_RNA)
where:
Base-Base interactions energy: -67.283
where: short stacking energy: -54.593
Base-Backbone interact. energy: -0.085
local terms energy: -86.340214
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -11.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -131.738360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.738360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.738360 (E_RNA)
where:
Base-Base interactions energy: -56.416
where: short stacking energy: -56.416
Base-Backbone interact. energy: 1.048
local terms energy: -76.370992
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -22.268
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -108.728209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.728209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.728209 (E_RNA)
where:
Base-Base interactions energy: -34.079
where: short stacking energy: -33.957
Base-Backbone interact. energy: -0.116
local terms energy: -74.533889
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -116.900160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.900160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.900160 (E_RNA)
where:
Base-Base interactions energy: -42.252
where: short stacking energy: -30.136
Base-Backbone interact. energy: -0.279
local terms energy: -74.369434
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -3.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -92.587154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.587154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.587154 (E_RNA)
where:
Base-Base interactions energy: -28.012
where: short stacking energy: -28.098
Base-Backbone interact. energy: -0.305
local terms energy: -64.270345
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: 4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -101.318170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.318170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.318170 (E_RNA)
where:
Base-Base interactions energy: -46.812
where: short stacking energy: -34.485
Base-Backbone interact. energy: -0.460
local terms energy: -54.046694
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -8.258
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: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -253.735482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.735482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.735482 (E_RNA)
where:
Base-Base interactions energy: -149.502
where: short stacking energy: -90.411
Base-Backbone interact. energy: -0.162
local terms energy: -104.072046
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -12.011
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: 2, replica: 9
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -225.412191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.412191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.412191 (E_RNA)
where:
Base-Base interactions energy: -129.244
where: short stacking energy: -85.052
Base-Backbone interact. energy: -0.041
local terms energy: -96.127095
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -252.211334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.211334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.211334 (E_RNA)
where:
Base-Base interactions energy: -147.196
where: short stacking energy: -90.112
Base-Backbone interact. energy: -0.009
local terms energy: -105.007025
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -17.499
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: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -196.763298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.763298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.763298 (E_RNA)
where:
Base-Base interactions energy: -101.859
where: short stacking energy: -60.793
Base-Backbone interact. energy: 0.198
local terms energy: -95.102394
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -128.626895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.626895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.626895 (E_RNA)
where:
Base-Base interactions energy: -57.630
where: short stacking energy: -47.045
Base-Backbone interact. energy: -0.329
local terms energy: -70.667617
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -117.129766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.129766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.129766 (E_RNA)
where:
Base-Base interactions energy: -35.609
where: short stacking energy: -35.609
Base-Backbone interact. energy: 0.318
local terms energy: -81.839081
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -26.694
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -108.731383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.731383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.731383 (E_RNA)
where:
Base-Base interactions energy: -37.443
where: short stacking energy: -35.766
Base-Backbone interact. energy: -0.376
local terms energy: -70.912461
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -6.253
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: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -107.699680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.699680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.699680 (E_RNA)
where:
Base-Base interactions energy: -43.272
where: short stacking energy: -42.853
Base-Backbone interact. energy: -0.092
local terms energy: -64.336060
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -101.583582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.583582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.583582 (E_RNA)
where:
Base-Base interactions energy: -41.412
where: short stacking energy: -27.843
Base-Backbone interact. energy: -0.143
local terms energy: -60.029100
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -106.119979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.119979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.119979 (E_RNA)
where:
Base-Base interactions energy: -43.075
where: short stacking energy: -35.697
Base-Backbone interact. energy: 1.714
local terms energy: -64.759341
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -9.527
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: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -263.131261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.131261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.131261 (E_RNA)
where:
Base-Base interactions energy: -152.780
where: short stacking energy: -92.389
Base-Backbone interact. energy: -0.014
local terms energy: -110.336867
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -23.858
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -17.325
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: 9
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -224.301957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.301957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.301957 (E_RNA)
where:
Base-Base interactions energy: -133.408
where: short stacking energy: -74.101
Base-Backbone interact. energy: -0.349
local terms energy: -90.544991
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -21.433
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: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -246.017867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.017867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.017867 (E_RNA)
where:
Base-Base interactions energy: -146.984
where: short stacking energy: -81.192
Base-Backbone interact. energy: -0.093
local terms energy: -98.941341
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -25.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -216.686993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.686993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.686993 (E_RNA)
where:
Base-Base interactions energy: -120.496
where: short stacking energy: -80.846
Base-Backbone interact. energy: -0.132
local terms energy: -96.059590
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -18.157
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: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -139.680280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.680280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.680280 (E_RNA)
where:
Base-Base interactions energy: -62.061
where: short stacking energy: -40.711
Base-Backbone interact. energy: -0.113
local terms energy: -77.506060
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -7.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -143.440888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.440888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.440888 (E_RNA)
where:
Base-Base interactions energy: -60.934
where: short stacking energy: -60.934
Base-Backbone interact. energy: -0.086
local terms energy: -82.421216
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -135.471193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.471193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.471193 (E_RNA)
where:
Base-Base interactions energy: -58.006
where: short stacking energy: -46.145
Base-Backbone interact. energy: -0.143
local terms energy: -77.321338
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -3.886
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: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -123.577395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.577395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.577395 (E_RNA)
where:
Base-Base interactions energy: -57.409
where: short stacking energy: -57.409
Base-Backbone interact. energy: -0.096
local terms energy: -66.071917
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -7.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -110.767647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.767647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.767647 (E_RNA)
where:
Base-Base interactions energy: -57.480
where: short stacking energy: -24.057
Base-Backbone interact. energy: -0.650
local terms energy: -52.637809
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -9.049
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: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -96.496523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.496523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.496523 (E_RNA)
where:
Base-Base interactions energy: -41.631
where: short stacking energy: -41.631
Base-Backbone interact. energy: 0.608
local terms energy: -55.473564
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -3.778
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: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -266.875140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.875140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.875140 (E_RNA)
where:
Base-Base interactions energy: -160.250
where: short stacking energy: -97.242
Base-Backbone interact. energy: -0.029
local terms energy: -106.595874
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -30.385
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: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -246.455071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.455071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.455071 (E_RNA)
where:
Base-Base interactions energy: -148.569
where: short stacking energy: -94.223
Base-Backbone interact. energy: -0.000
local terms energy: -97.885435
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -30.155
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: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -226.142517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.142517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.142517 (E_RNA)
where:
Base-Base interactions energy: -134.580
where: short stacking energy: -77.428
Base-Backbone interact. energy: -0.193
local terms energy: -91.370097
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -212.096554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.096554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.096554 (E_RNA)
where:
Base-Base interactions energy: -120.340
where: short stacking energy: -77.949
Base-Backbone interact. energy: -0.142
local terms energy: -91.614895
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -21.747
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: 381
Temperature: 1.100000
Total energy: -130.946480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.946480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.946480 (E_RNA)
where:
Base-Base interactions energy: -43.242
where: short stacking energy: -33.190
Base-Backbone interact. energy: -0.190
local terms energy: -87.514659
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -21.868
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -124.960162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.960162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.960162 (E_RNA)
where:
Base-Base interactions energy: -49.735
where: short stacking energy: -46.371
Base-Backbone interact. energy: -0.294
local terms energy: -74.931449
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -118.523435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.523435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.523435 (E_RNA)
where:
Base-Base interactions energy: -47.381
where: short stacking energy: -47.381
Base-Backbone interact. energy: -0.047
local terms energy: -71.095840
where:
bonds (distance) C4'-P energy: -19.373
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -10.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -109.386279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.386279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.386279 (E_RNA)
where:
Base-Base interactions energy: -36.988
where: short stacking energy: -37.588
Base-Backbone interact. energy: 0.096
local terms energy: -72.495073
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -0.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -90.871710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.871710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.871710 (E_RNA)
where:
Base-Base interactions energy: -21.601
where: short stacking energy: -21.601
Base-Backbone interact. energy: -0.425
local terms energy: -68.845666
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -93.517386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.517386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.517386 (E_RNA)
where:
Base-Base interactions energy: -37.127
where: short stacking energy: -34.294
Base-Backbone interact. energy: -0.537
local terms energy: -55.853434
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -14.360
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: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -266.284275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.284275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.284275 (E_RNA)
where:
Base-Base interactions energy: -153.311
where: short stacking energy: -110.214
Base-Backbone interact. energy: -0.002
local terms energy: -112.970644
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -34.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -260.549210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.549210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.549210 (E_RNA)
where:
Base-Base interactions energy: -158.670
where: short stacking energy: -95.594
Base-Backbone interact. energy: -0.009
local terms energy: -101.869659
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -21.083
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -30.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -237.650582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.650582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.650582 (E_RNA)
where:
Base-Base interactions energy: -138.839
where: short stacking energy: -87.061
Base-Backbone interact. energy: -0.071
local terms energy: -98.740703
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -22.608
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -216.750280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.750280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.750280 (E_RNA)
where:
Base-Base interactions energy: -121.936
where: short stacking energy: -74.293
Base-Backbone interact. energy: 0.643
local terms energy: -95.456966
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -13.581
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: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -135.452501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.452501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.452501 (E_RNA)
where:
Base-Base interactions energy: -52.897
where: short stacking energy: -52.897
Base-Backbone interact. energy: -0.160
local terms energy: -82.395245
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -10.623
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: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -126.514211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.514211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.514211 (E_RNA)
where:
Base-Base interactions energy: -44.617
where: short stacking energy: -43.342
Base-Backbone interact. energy: -0.232
local terms energy: -81.665045
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -22.307
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -9.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -119.100287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.100287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.100287 (E_RNA)
where:
Base-Base interactions energy: -48.649
where: short stacking energy: -48.480
Base-Backbone interact. energy: -1.019
local terms energy: -69.431605
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -109.428922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.428922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.428922 (E_RNA)
where:
Base-Base interactions energy: -43.501
where: short stacking energy: -38.359
Base-Backbone interact. energy: -0.497
local terms energy: -65.431686
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -104.780331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.780331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.780331 (E_RNA)
where:
Base-Base interactions energy: -35.566
where: short stacking energy: -35.566
Base-Backbone interact. energy: 0.562
local terms energy: -69.775720
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -106.047140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.047140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.047140 (E_RNA)
where:
Base-Base interactions energy: -34.480
where: short stacking energy: -28.412
Base-Backbone interact. energy: -0.705
local terms energy: -70.861909
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -257.087634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.087634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.087634 (E_RNA)
where:
Base-Base interactions energy: -146.159
where: short stacking energy: -97.241
Base-Backbone interact. energy: -0.014
local terms energy: -110.914211
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -18.118
tors. eta vs tors. theta energy: -30.602
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: 2, replica: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -247.530103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.530103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.530103 (E_RNA)
where:
Base-Base interactions energy: -144.556
where: short stacking energy: -85.250
Base-Backbone interact. energy: -0.531
local terms energy: -102.443043
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -13.627
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: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -234.985239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.985239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.985239 (E_RNA)
where:
Base-Base interactions energy: -137.296
where: short stacking energy: -77.955
Base-Backbone interact. energy: 0.027
local terms energy: -97.716316
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -22.678
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: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -202.501784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.501784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.501784 (E_RNA)
where:
Base-Base interactions energy: -107.160
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.239
local terms energy: -95.102740
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -23.827
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -137.296743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.296743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.296743 (E_RNA)
where:
Base-Base interactions energy: -49.149
where: short stacking energy: -46.742
Base-Backbone interact. energy: -0.264
local terms energy: -87.884318
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -18.208
tors. eta vs tors. theta energy: -8.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -119.761573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.761573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.761573 (E_RNA)
where:
Base-Base interactions energy: -44.225
where: short stacking energy: -42.528
Base-Backbone interact. energy: -0.146
local terms energy: -75.389975
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -7.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -127.616486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.616486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.616486 (E_RNA)
where:
Base-Base interactions energy: -51.092
where: short stacking energy: -47.480
Base-Backbone interact. energy: -0.199
local terms energy: -76.324961
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -10.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -103.369811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.369811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.369811 (E_RNA)
where:
Base-Base interactions energy: -27.551
where: short stacking energy: -26.553
Base-Backbone interact. energy: -0.953
local terms energy: -74.865884
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -9.343
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: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -108.165583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.165583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.165583 (E_RNA)
where:
Base-Base interactions energy: -46.157
where: short stacking energy: -35.602
Base-Backbone interact. energy: -0.018
local terms energy: -61.990512
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -9.496
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: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -97.899456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.899456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.899456 (E_RNA)
where:
Base-Base interactions energy: -39.159
where: short stacking energy: -33.000
Base-Backbone interact. energy: -0.643
local terms energy: -58.097329
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -3.948
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -266.554345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.554345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.554345 (E_RNA)
where:
Base-Base interactions energy: -155.880
where: short stacking energy: -94.190
Base-Backbone interact. energy: -0.060
local terms energy: -110.614641
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -32.268
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: 2, replica: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -240.136593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.136593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.136593 (E_RNA)
where:
Base-Base interactions energy: -134.574
where: short stacking energy: -86.235
Base-Backbone interact. energy: -0.131
local terms energy: -105.431723
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -23.276
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -29.092
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: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -238.608657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.608657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.608657 (E_RNA)
where:
Base-Base interactions energy: -143.839
where: short stacking energy: -82.710
Base-Backbone interact. energy: 1.490
local terms energy: -96.260056
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -211.975702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.975702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.975702 (E_RNA)
where:
Base-Base interactions energy: -121.548
where: short stacking energy: -67.562
Base-Backbone interact. energy: 1.294
local terms energy: -91.721763
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -14.881
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: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -137.001545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.001545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.001545 (E_RNA)
where:
Base-Base interactions energy: -61.225
where: short stacking energy: -56.399
Base-Backbone interact. energy: 0.585
local terms energy: -76.361236
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -14.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -129.639651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.639651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.639651 (E_RNA)
where:
Base-Base interactions energy: -56.478
where: short stacking energy: -56.478
Base-Backbone interact. energy: 0.023
local terms energy: -73.184921
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -25.223
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -14.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -136.917472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.917472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.917472 (E_RNA)
where:
Base-Base interactions energy: -60.770
where: short stacking energy: -60.770
Base-Backbone interact. energy: -1.181
local terms energy: -74.965729
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -14.259
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: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -114.366723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.366723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.366723 (E_RNA)
where:
Base-Base interactions energy: -43.326
where: short stacking energy: -43.326
Base-Backbone interact. energy: -0.122
local terms energy: -70.918162
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -104.021253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.021253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.021253 (E_RNA)
where:
Base-Base interactions energy: -34.812
where: short stacking energy: -34.398
Base-Backbone interact. energy: 0.071
local terms energy: -69.280209
where:
bonds (distance) C4'-P energy: -22.110
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -91.625313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.625313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.625313 (E_RNA)
where:
Base-Base interactions energy: -28.368
where: short stacking energy: -25.933
Base-Backbone interact. energy: -0.311
local terms energy: -62.947186
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -9.446
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: 9
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -256.032860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.032860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.032860 (E_RNA)
where:
Base-Base interactions energy: -143.683
where: short stacking energy: -89.530
Base-Backbone interact. energy: -0.862
local terms energy: -111.487944
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -24.611
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -24.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -247.713781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.713781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.713781 (E_RNA)
where:
Base-Base interactions energy: -143.028
where: short stacking energy: -82.669
Base-Backbone interact. energy: -0.035
local terms energy: -104.650766
where:
bonds (distance) C4'-P energy: -21.415
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -222.950034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.950034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.950034 (E_RNA)
where:
Base-Base interactions energy: -121.409
where: short stacking energy: -85.391
Base-Backbone interact. energy: -0.082
local terms energy: -101.459413
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -12.240
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: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -216.138269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.138269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.138269 (E_RNA)
where:
Base-Base interactions energy: -120.656
where: short stacking energy: -83.073
Base-Backbone interact. energy: -0.012
local terms energy: -95.470863
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -21.867
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: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -148.018765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.018765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.018765 (E_RNA)
where:
Base-Base interactions energy: -68.026
where: short stacking energy: -62.908
Base-Backbone interact. energy: -0.477
local terms energy: -79.515686
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -141.340703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.340703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.340703 (E_RNA)
where:
Base-Base interactions energy: -66.349
where: short stacking energy: -51.162
Base-Backbone interact. energy: 1.236
local terms energy: -76.227436
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -112.501933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.501933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.501933 (E_RNA)
where:
Base-Base interactions energy: -40.407
where: short stacking energy: -39.834
Base-Backbone interact. energy: -0.193
local terms energy: -71.901818
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -15.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -110.037605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.037605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.037605 (E_RNA)
where:
Base-Base interactions energy: -36.244
where: short stacking energy: -36.244
Base-Backbone interact. energy: -0.266
local terms energy: -73.527757
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -15.269
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: 9, replica: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -132.950687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.950687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.950687 (E_RNA)
where:
Base-Base interactions energy: -67.081
where: short stacking energy: -34.623
Base-Backbone interact. energy: -0.141
local terms energy: -65.728498
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -98.240798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.240798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.240798 (E_RNA)
where:
Base-Base interactions energy: -44.983
where: short stacking energy: -31.461
Base-Backbone interact. energy: -0.543
local terms energy: -52.714424
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: 3.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -264.804529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.804529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.804529 (E_RNA)
where:
Base-Base interactions energy: -158.718
where: short stacking energy: -88.854
Base-Backbone interact. energy: -0.032
local terms energy: -106.053981
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -24.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -239.815008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.815008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.815008 (E_RNA)
where:
Base-Base interactions energy: -142.586
where: short stacking energy: -79.797
Base-Backbone interact. energy: -0.481
local terms energy: -96.747608
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -15.905
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: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -220.450773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.450773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.450773 (E_RNA)
where:
Base-Base interactions energy: -121.288
where: short stacking energy: -84.266
Base-Backbone interact. energy: -0.021
local terms energy: -99.141554
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -22.470
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: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -210.130409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.130409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.130409 (E_RNA)
where:
Base-Base interactions energy: -120.018
where: short stacking energy: -78.485
Base-Backbone interact. energy: -0.080
local terms energy: -90.032238
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -23.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -149.306041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.306041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.306041 (E_RNA)
where:
Base-Base interactions energy: -67.229
where: short stacking energy: -48.958
Base-Backbone interact. energy: -0.170
local terms energy: -81.907459
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -23.375
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -154.013482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.013482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.013482 (E_RNA)
where:
Base-Base interactions energy: -71.184
where: short stacking energy: -47.258
Base-Backbone interact. energy: -0.145
local terms energy: -82.684243
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -21.165
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -9.214
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: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -126.299367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.299367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.299367 (E_RNA)
where:
Base-Base interactions energy: -44.016
where: short stacking energy: -43.747
Base-Backbone interact. energy: -0.330
local terms energy: -81.953426
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -6.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -108.417284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.417284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.417284 (E_RNA)
where:
Base-Base interactions energy: -41.285
where: short stacking energy: -35.040
Base-Backbone interact. energy: -0.416
local terms energy: -66.715619
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -97.820987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.820987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.820987 (E_RNA)
where:
Base-Base interactions energy: -40.359
where: short stacking energy: -31.232
Base-Backbone interact. energy: 0.656
local terms energy: -58.117982
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -0.666
tors. eta vs tors. theta energy: -6.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -99.730141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.730141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.730141 (E_RNA)
where:
Base-Base interactions energy: -36.819
where: short stacking energy: -36.819
Base-Backbone interact. energy: -0.166
local terms energy: -62.745082
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -12.560
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: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -262.082225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.082225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.082225 (E_RNA)
where:
Base-Base interactions energy: -154.245
where: short stacking energy: -94.282
Base-Backbone interact. energy: -0.152
local terms energy: -107.684776
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -24.008
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -24.205
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: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -230.520100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.520100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.520100 (E_RNA)
where:
Base-Base interactions energy: -125.076
where: short stacking energy: -81.490
Base-Backbone interact. energy: -0.003
local terms energy: -105.440494
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -25.264
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: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -249.438937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.438937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.438937 (E_RNA)
where:
Base-Base interactions energy: -148.249
where: short stacking energy: -87.744
Base-Backbone interact. energy: -0.125
local terms energy: -101.064877
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -24.773
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: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -194.921788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.921788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.921788 (E_RNA)
where:
Base-Base interactions energy: -102.465
where: short stacking energy: -63.124
Base-Backbone interact. energy: -0.055
local terms energy: -92.402100
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -20.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -134.513652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.513652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.513652 (E_RNA)
where:
Base-Base interactions energy: -59.758
where: short stacking energy: -59.589
Base-Backbone interact. energy: 0.661
local terms energy: -75.416747
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: -7.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -164.207547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.207547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.207547 (E_RNA)
where:
Base-Base interactions energy: -91.963
where: short stacking energy: -49.614
Base-Backbone interact. energy: -0.438
local terms energy: -71.806508
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -117.312810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.312810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.312810 (E_RNA)
where:
Base-Base interactions energy: -53.698
where: short stacking energy: -44.376
Base-Backbone interact. energy: -0.036
local terms energy: -63.578412
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -116.597615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.597615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.597615 (E_RNA)
where:
Base-Base interactions energy: -52.495
where: short stacking energy: -36.767
Base-Backbone interact. energy: -0.458
local terms energy: -63.643841
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -95.665461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.665461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.665461 (E_RNA)
where:
Base-Base interactions energy: -24.807
where: short stacking energy: -24.494
Base-Backbone interact. energy: -0.439
local terms energy: -70.420024
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -102.102280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.102280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.102280 (E_RNA)
where:
Base-Base interactions energy: -36.577
where: short stacking energy: -36.577
Base-Backbone interact. energy: -0.370
local terms energy: -65.154402
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -266.661325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.661325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.661325 (E_RNA)
where:
Base-Base interactions energy: -151.862
where: short stacking energy: -85.724
Base-Backbone interact. energy: -0.020
local terms energy: -114.779991
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -24.128
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: -13.834
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: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -241.863702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.863702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.863702 (E_RNA)
where:
Base-Base interactions energy: -132.603
where: short stacking energy: -95.313
Base-Backbone interact. energy: -0.000
local terms energy: -109.260340
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -24.515
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -27.322
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: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -248.843089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.843089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.843089 (E_RNA)
where:
Base-Base interactions energy: -145.301
where: short stacking energy: -92.827
Base-Backbone interact. energy: -0.081
local terms energy: -103.460707
where:
bonds (distance) C4'-P energy: -22.412
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -26.868
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: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -199.337692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.337692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.337692 (E_RNA)
where:
Base-Base interactions energy: -109.344
where: short stacking energy: -67.960
Base-Backbone interact. energy: -0.176
local terms energy: -89.817907
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -163.287171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.287171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.287171 (E_RNA)
where:
Base-Base interactions energy: -80.016
where: short stacking energy: -56.523
Base-Backbone interact. energy: -0.140
local terms energy: -83.131267
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -10.847
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: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -138.028698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.028698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.028698 (E_RNA)
where:
Base-Base interactions energy: -55.641
where: short stacking energy: -55.641
Base-Backbone interact. energy: 0.298
local terms energy: -82.686031
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -12.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -130.132651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.132651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.132651 (E_RNA)
where:
Base-Base interactions energy: -57.730
where: short stacking energy: -48.640
Base-Backbone interact. energy: -0.057
local terms energy: -72.345824
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -111.870112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.870112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.870112 (E_RNA)
where:
Base-Base interactions energy: -38.302
where: short stacking energy: -36.807
Base-Backbone interact. energy: 2.672
local terms energy: -76.240490
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -8.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -95.833607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.833607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.833607 (E_RNA)
where:
Base-Base interactions energy: -32.121
where: short stacking energy: -32.121
Base-Backbone interact. energy: -0.102
local terms energy: -63.611081
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -107.033994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.033994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.033994 (E_RNA)
where:
Base-Base interactions energy: -37.223
where: short stacking energy: -34.599
Base-Backbone interact. energy: -0.138
local terms energy: -69.672770
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -252.511069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.511069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.511069 (E_RNA)
where:
Base-Base interactions energy: -150.653
where: short stacking energy: -81.502
Base-Backbone interact. energy: -0.092
local terms energy: -101.765450
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -241.237074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.237074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.237074 (E_RNA)
where:
Base-Base interactions energy: -136.433
where: short stacking energy: -71.651
Base-Backbone interact. energy: -0.298
local terms energy: -104.505496
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -26.350
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -21.733
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: 389
Temperature: 1.000000
Total energy: -220.996684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.996684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.996684 (E_RNA)
where:
Base-Base interactions energy: -127.168
where: short stacking energy: -83.846
Base-Backbone interact. energy: -0.216
local terms energy: -93.612376
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -15.694
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: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -205.426027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.426027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.426027 (E_RNA)
where:
Base-Base interactions energy: -110.640
where: short stacking energy: -73.004
Base-Backbone interact. energy: -0.216
local terms energy: -94.569765
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -173.667811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.667811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.667811 (E_RNA)
where:
Base-Base interactions energy: -87.353
where: short stacking energy: -64.741
Base-Backbone interact. energy: -0.089
local terms energy: -86.225816
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -15.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -122.650317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.650317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.650317 (E_RNA)
where:
Base-Base interactions energy: -48.442
where: short stacking energy: -42.825
Base-Backbone interact. energy: -0.160
local terms energy: -74.047670
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -12.885
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: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -159.897477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.897477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.897477 (E_RNA)
where:
Base-Base interactions energy: -82.556
where: short stacking energy: -48.011
Base-Backbone interact. energy: -0.519
local terms energy: -76.822891
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -25.195
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -6.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -110.188333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.188333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.188333 (E_RNA)
where:
Base-Base interactions energy: -47.617
where: short stacking energy: -44.949
Base-Backbone interact. energy: 0.577
local terms energy: -63.147886
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -111.185857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.185857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.185857 (E_RNA)
where:
Base-Base interactions energy: -41.385
where: short stacking energy: -41.385
Base-Backbone interact. energy: -0.372
local terms energy: -69.429140
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -105.642994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.642994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.642994 (E_RNA)
where:
Base-Base interactions energy: -36.163
where: short stacking energy: -36.163
Base-Backbone interact. energy: 1.538
local terms energy: -71.017886
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -8.058
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: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -250.394097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.394097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.394097 (E_RNA)
where:
Base-Base interactions energy: -152.200
where: short stacking energy: -91.798
Base-Backbone interact. energy: -0.031
local terms energy: -98.163072
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -24.710
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -245.136857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.136857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.136857 (E_RNA)
where:
Base-Base interactions energy: -144.533
where: short stacking energy: -85.730
Base-Backbone interact. energy: -0.021
local terms energy: -100.582476
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -23.071
flat angles C4'-P-C4' energy: -20.773
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -23.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -220.780713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.780713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.780713 (E_RNA)
where:
Base-Base interactions energy: -129.372
where: short stacking energy: -72.725
Base-Backbone interact. energy: -0.214
local terms energy: -91.194521
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -19.437
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -20.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -217.798278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.798278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.798278 (E_RNA)
where:
Base-Base interactions energy: -117.209
where: short stacking energy: -73.356
Base-Backbone interact. energy: -0.065
local terms energy: -100.524385
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -17.735
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: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -184.970661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.970661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.970661 (E_RNA)
where:
Base-Base interactions energy: -96.744
where: short stacking energy: -67.451
Base-Backbone interact. energy: -0.060
local terms energy: -88.166366
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -19.217
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: 390
Temperature: 1.150000
Total energy: -135.628672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.628672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.628672 (E_RNA)
where:
Base-Base interactions energy: -53.106
where: short stacking energy: -53.106
Base-Backbone interact. energy: 0.564
local terms energy: -83.086596
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -24.998
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -147.796924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.796924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.796924 (E_RNA)
where:
Base-Base interactions energy: -74.017
where: short stacking energy: -39.600
Base-Backbone interact. energy: -0.710
local terms energy: -73.070692
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -12.141
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: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -115.776754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.776754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.776754 (E_RNA)
where:
Base-Base interactions energy: -47.283
where: short stacking energy: -34.010
Base-Backbone interact. energy: -0.307
local terms energy: -68.186377
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -105.890884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.890884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.890884 (E_RNA)
where:
Base-Base interactions energy: -34.714
where: short stacking energy: -30.288
Base-Backbone interact. energy: -0.936
local terms energy: -70.240167
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -101.208067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.208067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.208067 (E_RNA)
where:
Base-Base interactions energy: -28.492
where: short stacking energy: -28.492
Base-Backbone interact. energy: -0.134
local terms energy: -72.581609
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -260.369525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.369525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.369525 (E_RNA)
where:
Base-Base interactions energy: -150.395
where: short stacking energy: -90.109
Base-Backbone interact. energy: -0.815
local terms energy: -109.159062
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -19.177
tors. eta vs tors. theta energy: -25.348
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: 9
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -241.008672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.008672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.008672 (E_RNA)
where:
Base-Base interactions energy: -142.701
where: short stacking energy: -83.237
Base-Backbone interact. energy: -0.056
local terms energy: -98.251880
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -13.313
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: 391
Temperature: 1.000000
Total energy: -220.686301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.686301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.686301 (E_RNA)
where:
Base-Base interactions energy: -132.881
where: short stacking energy: -82.080
Base-Backbone interact. energy: -0.211
local terms energy: -87.593548
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -220.351189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.351189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.351189 (E_RNA)
where:
Base-Base interactions energy: -121.961
where: short stacking energy: -79.285
Base-Backbone interact. energy: -0.154
local terms energy: -98.235886
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -23.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -206.355516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.355516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.355516 (E_RNA)
where:
Base-Base interactions energy: -113.770
where: short stacking energy: -78.116
Base-Backbone interact. energy: -0.026
local terms energy: -92.559497
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -23.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -111.230049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.230049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.230049 (E_RNA)
where:
Base-Base interactions energy: -42.644
where: short stacking energy: -40.083
Base-Backbone interact. energy: -0.042
local terms energy: -68.544790
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -112.582781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.582781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.582781 (E_RNA)
where:
Base-Base interactions energy: -43.226
where: short stacking energy: -43.226
Base-Backbone interact. energy: -0.253
local terms energy: -69.103692
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -102.881042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.881042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.881042 (E_RNA)
where:
Base-Base interactions energy: -32.508
where: short stacking energy: -32.399
Base-Backbone interact. energy: 0.191
local terms energy: -70.563459
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -99.022326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.022326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.022326 (E_RNA)
where:
Base-Base interactions energy: -43.100
where: short stacking energy: -43.100
Base-Backbone interact. energy: 1.072
local terms energy: -56.995070
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -99.507224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.507224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.507224 (E_RNA)
where:
Base-Base interactions energy: -29.107
where: short stacking energy: -27.467
Base-Backbone interact. energy: -0.208
local terms energy: -70.191993
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -253.564435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.564435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.564435 (E_RNA)
where:
Base-Base interactions energy: -148.109
where: short stacking energy: -82.766
Base-Backbone interact. energy: -0.249
local terms energy: -105.206235
where:
bonds (distance) C4'-P energy: -24.441
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -17.933
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: 2, replica: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -233.867020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.867020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.867020 (E_RNA)
where:
Base-Base interactions energy: -139.765
where: short stacking energy: -77.484
Base-Backbone interact. energy: -0.993
local terms energy: -93.108834
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -230.999475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.999475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.999475 (E_RNA)
where:
Base-Base interactions energy: -128.460
where: short stacking energy: -82.417
Base-Backbone interact. energy: -0.037
local terms energy: -102.501679
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -19.351
flat angles C4'-P-C4' energy: -22.900
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -25.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -199.109641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.109641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.109641 (E_RNA)
where:
Base-Base interactions energy: -108.117
where: short stacking energy: -75.953
Base-Backbone interact. energy: -0.086
local terms energy: -90.907518
where:
bonds (distance) C4'-P energy: -21.299
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -225.191246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.191246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.191246 (E_RNA)
where:
Base-Base interactions energy: -137.419
where: short stacking energy: -86.928
Base-Backbone interact. energy: 3.062
local terms energy: -90.834209
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -27.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -121.447659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.447659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.447659 (E_RNA)
where:
Base-Base interactions energy: -55.956
where: short stacking energy: -38.607
Base-Backbone interact. energy: -0.251
local terms energy: -65.240663
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -12.576
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: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -141.766681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.766681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.766681 (E_RNA)
where:
Base-Base interactions energy: -61.664
where: short stacking energy: -45.681
Base-Backbone interact. energy: -0.053
local terms energy: -80.049253
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -115.942027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.942027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.942027 (E_RNA)
where:
Base-Base interactions energy: -41.954
where: short stacking energy: -37.551
Base-Backbone interact. energy: 0.159
local terms energy: -74.147457
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: 0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -117.111767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.111767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.111767 (E_RNA)
where:
Base-Base interactions energy: -45.896
where: short stacking energy: -31.980
Base-Backbone interact. energy: -0.141
local terms energy: -71.074719
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -101.353357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.353357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.353357 (E_RNA)
where:
Base-Base interactions energy: -26.910
where: short stacking energy: -26.910
Base-Backbone interact. energy: -0.301
local terms energy: -74.142633
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -16.250
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: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -255.000145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.000145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.000145 (E_RNA)
where:
Base-Base interactions energy: -153.223
where: short stacking energy: -90.232
Base-Backbone interact. energy: -0.001
local terms energy: -101.776410
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -26.034
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: 9
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -240.630767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.630767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.630767 (E_RNA)
where:
Base-Base interactions energy: -135.943
where: short stacking energy: -77.941
Base-Backbone interact. energy: -0.299
local terms energy: -104.388127
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -22.272
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: 3, replica: 8
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -234.086349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.086349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.086349 (E_RNA)
where:
Base-Base interactions energy: -136.262
where: short stacking energy: -93.818
Base-Backbone interact. energy: 0.946
local terms energy: -98.770366
where:
bonds (distance) C4'-P energy: -21.852
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -23.819
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: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -208.249870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.249870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.249870 (E_RNA)
where:
Base-Base interactions energy: -129.841
where: short stacking energy: -75.201
Base-Backbone interact. energy: -0.287
local terms energy: -78.121717
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -21.791
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -16.793
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: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -130.814771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.814771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.814771 (E_RNA)
where:
Base-Base interactions energy: -56.446
where: short stacking energy: -50.967
Base-Backbone interact. energy: -1.228
local terms energy: -73.140730
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -136.929935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.929935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.929935 (E_RNA)
where:
Base-Base interactions energy: -63.129
where: short stacking energy: -52.118
Base-Backbone interact. energy: 0.448
local terms energy: -74.248624
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -10.080
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: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -130.127428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.127428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.127428 (E_RNA)
where:
Base-Base interactions energy: -50.973
where: short stacking energy: -47.572
Base-Backbone interact. energy: -0.217
local terms energy: -78.937475
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -120.129030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.129030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.129030 (E_RNA)
where:
Base-Base interactions energy: -42.965
where: short stacking energy: -38.215
Base-Backbone interact. energy: -0.124
local terms energy: -77.040084
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -105.239013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.239013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.239013 (E_RNA)
where:
Base-Base interactions energy: -44.784
where: short stacking energy: -35.529
Base-Backbone interact. energy: 3.988
local terms energy: -64.442354
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -95.729099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.729099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.729099 (E_RNA)
where:
Base-Base interactions energy: -22.096
where: short stacking energy: -20.213
Base-Backbone interact. energy: 0.774
local terms energy: -74.407233
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -257.302415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.302415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.302415 (E_RNA)
where:
Base-Base interactions energy: -152.299
where: short stacking energy: -92.736
Base-Backbone interact. energy: -0.287
local terms energy: -104.715814
where:
bonds (distance) C4'-P energy: -20.004
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -28.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -240.699387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.699387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.699387 (E_RNA)
where:
Base-Base interactions energy: -135.551
where: short stacking energy: -80.264
Base-Backbone interact. energy: -0.092
local terms energy: -105.056538
where:
bonds (distance) C4'-P energy: -22.780
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -24.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -228.801759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.801759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.801759 (E_RNA)
where:
Base-Base interactions energy: -131.788
where: short stacking energy: -83.626
Base-Backbone interact. energy: -0.197
local terms energy: -96.817205
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -202.463213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.463213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.463213 (E_RNA)
where:
Base-Base interactions energy: -114.077
where: short stacking energy: -69.230
Base-Backbone interact. energy: -0.246
local terms energy: -88.140073
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -147.877119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.877119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.877119 (E_RNA)
where:
Base-Base interactions energy: -61.568
where: short stacking energy: -61.568
Base-Backbone interact. energy: -0.137
local terms energy: -86.172111
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -16.860
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -147.054719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.054719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.054719 (E_RNA)
where:
Base-Base interactions energy: -68.872
where: short stacking energy: -45.008
Base-Backbone interact. energy: -0.051
local terms energy: -78.130885
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -117.219341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.219341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.219341 (E_RNA)
where:
Base-Base interactions energy: -44.736
where: short stacking energy: -39.065
Base-Backbone interact. energy: 1.562
local terms energy: -74.045817
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -24.421
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -130.967561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.967561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.967561 (E_RNA)
where:
Base-Base interactions energy: -53.022
where: short stacking energy: -53.022
Base-Backbone interact. energy: -0.289
local terms energy: -77.656073
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -11.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -97.514476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.514476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.514476 (E_RNA)
where:
Base-Base interactions energy: -29.251
where: short stacking energy: -29.251
Base-Backbone interact. energy: -0.433
local terms energy: -67.830671
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -104.549755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.549755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.549755 (E_RNA)
where:
Base-Base interactions energy: -37.812
where: short stacking energy: -37.812
Base-Backbone interact. energy: -0.224
local terms energy: -66.513330
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -10.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -278.810872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.810872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.810872 (E_RNA)
where:
Base-Base interactions energy: -172.483
where: short stacking energy: -105.840
Base-Backbone interact. energy: 0.094
local terms energy: -106.421614
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -28.072
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: 2, replica: 9
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -247.796394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.796394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.796394 (E_RNA)
where:
Base-Base interactions energy: -141.170
where: short stacking energy: -83.053
Base-Backbone interact. energy: -0.065
local terms energy: -106.561768
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -23.014
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -23.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -238.733966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.733966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.733966 (E_RNA)
where:
Base-Base interactions energy: -132.275
where: short stacking energy: -84.480
Base-Backbone interact. energy: -0.069
local terms energy: -106.390042
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -22.572
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: -24.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -179.645236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.645236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.645236 (E_RNA)
where:
Base-Base interactions energy: -104.079
where: short stacking energy: -64.906
Base-Backbone interact. energy: -0.239
local terms energy: -75.327294
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -11.211
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: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -133.632753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.632753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.632753 (E_RNA)
where:
Base-Base interactions energy: -49.867
where: short stacking energy: -49.867
Base-Backbone interact. energy: -0.792
local terms energy: -82.973961
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -138.385473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.385473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.385473 (E_RNA)
where:
Base-Base interactions energy: -68.195
where: short stacking energy: -47.714
Base-Backbone interact. energy: -0.106
local terms energy: -70.084095
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -122.787377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.787377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.787377 (E_RNA)
where:
Base-Base interactions energy: -43.237
where: short stacking energy: -43.042
Base-Backbone interact. energy: -0.464
local terms energy: -79.086222
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -116.159549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.159549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.159549 (E_RNA)
where:
Base-Base interactions energy: -50.714
where: short stacking energy: -42.594
Base-Backbone interact. energy: -0.191
local terms energy: -65.254766
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -110.306888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.306888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.306888 (E_RNA)
where:
Base-Base interactions energy: -43.898
where: short stacking energy: -41.411
Base-Backbone interact. energy: -0.139
local terms energy: -66.269850
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -101.878407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.878407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.878407 (E_RNA)
where:
Base-Base interactions energy: -32.401
where: short stacking energy: -30.279
Base-Backbone interact. energy: -0.286
local terms energy: -69.191769
where:
bonds (distance) C4'-P energy: -7.967
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -253.792921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.792921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.792921 (E_RNA)
where:
Base-Base interactions energy: -144.766
where: short stacking energy: -91.056
Base-Backbone interact. energy: -1.359
local terms energy: -107.667118
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -29.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -256.898229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.898229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.898229 (E_RNA)
where:
Base-Base interactions energy: -155.041
where: short stacking energy: -89.454
Base-Backbone interact. energy: -2.293
local terms energy: -99.564380
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -22.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -221.659750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.659750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.659750 (E_RNA)
where:
Base-Base interactions energy: -118.752
where: short stacking energy: -68.995
Base-Backbone interact. energy: -0.521
local terms energy: -102.386478
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -23.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -199.818747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.818747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.818747 (E_RNA)
where:
Base-Base interactions energy: -110.914
where: short stacking energy: -69.945
Base-Backbone interact. energy: -0.102
local terms energy: -88.802658
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -15.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -163.669040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.669040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.669040 (E_RNA)
where:
Base-Base interactions energy: -79.380
where: short stacking energy: -49.840
Base-Backbone interact. energy: -0.325
local terms energy: -83.964433
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -119.972272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.972272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.972272 (E_RNA)
where:
Base-Base interactions energy: -36.600
where: short stacking energy: -36.600
Base-Backbone interact. energy: 2.006
local terms energy: -85.378866
where:
bonds (distance) C4'-P energy: -20.772
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -9.296
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: 396
Temperature: 1.200000
Total energy: -142.720921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.720921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.720921 (E_RNA)
where:
Base-Base interactions energy: -60.458
where: short stacking energy: -59.848
Base-Backbone interact. energy: -0.088
local terms energy: -82.175185
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -13.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -105.822997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.822997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.822997 (E_RNA)
where:
Base-Base interactions energy: -38.404
where: short stacking energy: -34.213
Base-Backbone interact. energy: -0.100
local terms energy: -67.319175
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -100.169040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.169040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.169040 (E_RNA)
where:
Base-Base interactions energy: -33.946
where: short stacking energy: -33.931
Base-Backbone interact. energy: -0.198
local terms energy: -66.024856
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -0.963
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: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -99.449418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.449418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.449418 (E_RNA)
where:
Base-Base interactions energy: -26.531
where: short stacking energy: -27.831
Base-Backbone interact. energy: -0.048
local terms energy: -72.869741
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -9.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -271.230858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.230858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.230858 (E_RNA)
where:
Base-Base interactions energy: -153.759
where: short stacking energy: -87.790
Base-Backbone interact. energy: -0.093
local terms energy: -117.378737
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -30.726
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: 397
Temperature: 0.950000
Total energy: -246.025006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.025006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.025006 (E_RNA)
where:
Base-Base interactions energy: -148.429
where: short stacking energy: -83.847
Base-Backbone interact. energy: -0.114
local terms energy: -97.482208
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -26.944
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: 3, replica: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -229.037271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.037271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.037271 (E_RNA)
where:
Base-Base interactions energy: -133.877
where: short stacking energy: -81.870
Base-Backbone interact. energy: -0.032
local terms energy: -95.127429
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -21.473
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -21.903
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: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -215.716074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.716074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.716074 (E_RNA)
where:
Base-Base interactions energy: -124.181
where: short stacking energy: -76.878
Base-Backbone interact. energy: -0.073
local terms energy: -91.462005
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -23.341
flat angles P-C4'-P energy: -11.938
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: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -137.652514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.652514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.652514 (E_RNA)
where:
Base-Base interactions energy: -53.656
where: short stacking energy: -49.469
Base-Backbone interact. energy: 2.838
local terms energy: -86.834248
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -153.785920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.785920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.785920 (E_RNA)
where:
Base-Base interactions energy: -67.371
where: short stacking energy: -51.664
Base-Backbone interact. energy: -0.493
local terms energy: -85.922142
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -25.137
flat angles C4'-P-C4' energy: -23.993
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -8.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -124.825044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.825044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.825044 (E_RNA)
where:
Base-Base interactions energy: -47.610
where: short stacking energy: -47.437
Base-Backbone interact. energy: -0.103
local terms energy: -77.112018
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -7.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -107.099075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.099075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.099075 (E_RNA)
where:
Base-Base interactions energy: -36.697
where: short stacking energy: -37.097
Base-Backbone interact. energy: 0.318
local terms energy: -70.720967
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -20.251
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -6.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -112.333667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.333667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.333667 (E_RNA)
where:
Base-Base interactions energy: -40.939
where: short stacking energy: -36.733
Base-Backbone interact. energy: -0.848
local terms energy: -70.546568
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -8.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -104.392725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.392725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.392725 (E_RNA)
where:
Base-Base interactions energy: -36.452
where: short stacking energy: -34.029
Base-Backbone interact. energy: -0.658
local terms energy: -67.281760
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -265.935937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.935937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.935937 (E_RNA)
where:
Base-Base interactions energy: -157.902
where: short stacking energy: -96.472
Base-Backbone interact. energy: -0.078
local terms energy: -107.956314
where:
bonds (distance) C4'-P energy: -23.033
bonds (distance) P-C4' energy: -24.021
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -26.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -239.512350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.512350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.512350 (E_RNA)
where:
Base-Base interactions energy: -144.513
where: short stacking energy: -86.971
Base-Backbone interact. energy: -0.605
local terms energy: -94.394830
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -21.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -231.470563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.470563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.470563 (E_RNA)
where:
Base-Base interactions energy: -134.054
where: short stacking energy: -83.722
Base-Backbone interact. energy: -0.010
local terms energy: -97.406547
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -23.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -202.513550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.513550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.513550 (E_RNA)
where:
Base-Base interactions energy: -111.353
where: short stacking energy: -68.189
Base-Backbone interact. energy: -0.468
local terms energy: -90.692827
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -169.302664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.302664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.302664 (E_RNA)
where:
Base-Base interactions energy: -79.827
where: short stacking energy: -58.985
Base-Backbone interact. energy: 0.143
local terms energy: -89.618299
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -23.921
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -121.389635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.389635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.389635 (E_RNA)
where:
Base-Base interactions energy: -49.239
where: short stacking energy: -49.239
Base-Backbone interact. energy: -0.054
local terms energy: -72.095784
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -5.907
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: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -116.580842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.580842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.580842 (E_RNA)
where:
Base-Base interactions energy: -45.681
where: short stacking energy: -45.681
Base-Backbone interact. energy: -0.054
local terms energy: -70.846071
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -12.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -112.402795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.402795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.402795 (E_RNA)
where:
Base-Base interactions energy: -33.874
where: short stacking energy: -29.996
Base-Backbone interact. energy: 0.089
local terms energy: -78.617396
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -100.674655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.674655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.674655 (E_RNA)
where:
Base-Base interactions energy: -36.016
where: short stacking energy: -36.316
Base-Backbone interact. energy: -0.158
local terms energy: -64.500250
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -10.530
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: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -107.791970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.791970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.791970 (E_RNA)
where:
Base-Base interactions energy: -38.725
where: short stacking energy: -35.317
Base-Backbone interact. energy: 1.028
local terms energy: -70.094249
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -15.566
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: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -267.376943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.376943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.376943 (E_RNA)
where:
Base-Base interactions energy: -161.432
where: short stacking energy: -90.946
Base-Backbone interact. energy: -0.145
local terms energy: -105.799846
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -22.742
flat angles P-C4'-P energy: -13.088
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: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -238.933881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.933881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.933881 (E_RNA)
where:
Base-Base interactions energy: -149.621
where: short stacking energy: -80.250
Base-Backbone interact. energy: -0.300
local terms energy: -89.012499
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -16.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -210.530498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.530498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.530498 (E_RNA)
where:
Base-Base interactions energy: -117.896
where: short stacking energy: -76.533
Base-Backbone interact. energy: -0.023
local terms energy: -92.611828
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -20.076
flat angles P-C4'-P energy: -16.891
tors. eta vs tors. theta energy: -16.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -210.978032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.978032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.978032 (E_RNA)
where:
Base-Base interactions energy: -121.740
where: short stacking energy: -76.987
Base-Backbone interact. energy: 0.835
local terms energy: -90.072817
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -22.987
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: 399
Temperature: 1.100000
Total energy: -135.311133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.311133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.311133 (E_RNA)
where:
Base-Base interactions energy: -56.288
where: short stacking energy: -37.570
Base-Backbone interact. energy: -0.250
local terms energy: -78.773256
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -18.867
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -5.437
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: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -122.635839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.635839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.635839 (E_RNA)
where:
Base-Base interactions energy: -44.659
where: short stacking energy: -40.725
Base-Backbone interact. energy: -0.063
local terms energy: -77.914172
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -19.018
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -129.081251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.081251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.081251 (E_RNA)
where:
Base-Base interactions energy: -62.165
where: short stacking energy: -41.486
Base-Backbone interact. energy: -0.178
local terms energy: -66.738696
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -114.890648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.890648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.890648 (E_RNA)
where:
Base-Base interactions energy: -39.370
where: short stacking energy: -35.264
Base-Backbone interact. energy: -2.416
local terms energy: -73.105028
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -9.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -109.502025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.502025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.502025 (E_RNA)
where:
Base-Base interactions energy: -31.188
where: short stacking energy: -28.956
Base-Backbone interact. energy: 0.629
local terms energy: -78.942984
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -6.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -108.000762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.000762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.000762 (E_RNA)
where:
Base-Base interactions energy: -33.549
where: short stacking energy: -33.549
Base-Backbone interact. energy: -0.403
local terms energy: -74.048991
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -24.731
flat angles C4'-P-C4' energy: -5.397
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -271.691823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.691823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.691823 (E_RNA)
where:
Base-Base interactions energy: -160.141
where: short stacking energy: -99.456
Base-Backbone interact. energy: -0.010
local terms energy: -111.540585
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -24.002
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -28.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -239.394907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.394907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.394907 (E_RNA)
where:
Base-Base interactions energy: -136.339
where: short stacking energy: -74.985
Base-Backbone interact. energy: -0.114
local terms energy: -102.942076
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -24.199
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: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -210.092701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.092701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.092701 (E_RNA)
where:
Base-Base interactions energy: -114.950
where: short stacking energy: -68.793
Base-Backbone interact. energy: -0.247
local terms energy: -94.895610
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -206.766756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.766756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.766756 (E_RNA)
where:
Base-Base interactions energy: -117.431
where: short stacking energy: -78.053
Base-Backbone interact. energy: -0.022
local terms energy: -89.313599
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -19.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -144.394169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.394169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.394169 (E_RNA)
where:
Base-Base interactions energy: -67.417
where: short stacking energy: -59.188
Base-Backbone interact. energy: -0.604
local terms energy: -76.373283
where:
bonds (distance) C4'-P energy: -19.281
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -11.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -130.968422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.968422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.968422 (E_RNA)
where:
Base-Base interactions energy: -51.565
where: short stacking energy: -50.447
Base-Backbone interact. energy: -0.100
local terms energy: -79.303246
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -12.713
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: 7, replica: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -118.815800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.815800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.815800 (E_RNA)
where:
Base-Base interactions energy: -40.240
where: short stacking energy: -37.193
Base-Backbone interact. energy: -0.238
local terms energy: -78.337264
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -8.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -108.911025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.911025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.911025 (E_RNA)
where:
Base-Base interactions energy: -36.331
where: short stacking energy: -33.517
Base-Backbone interact. energy: -0.115
local terms energy: -72.464619
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -127.601054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.601054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.601054 (E_RNA)
where:
Base-Base interactions energy: -48.990
where: short stacking energy: -48.990
Base-Backbone interact. energy: 0.709
local terms energy: -79.320046
where:
bonds (distance) C4'-P energy: -22.062
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -87.737154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.737154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.737154 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -33.097
Base-Backbone interact. energy: -0.426
local terms energy: -52.366589
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: 6.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -267.743981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.743981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.743981 (E_RNA)
where:
Base-Base interactions energy: -164.197
where: short stacking energy: -96.628
Base-Backbone interact. energy: -0.017
local terms energy: -103.529426
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -14.116
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: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -256.455746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.455746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.455746 (E_RNA)
where:
Base-Base interactions energy: -151.294
where: short stacking energy: -87.268
Base-Backbone interact. energy: -0.107
local terms energy: -105.054908
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -21.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -228.430689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.430689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.430689 (E_RNA)
where:
Base-Base interactions energy: -119.191
where: short stacking energy: -73.305
Base-Backbone interact. energy: -0.021
local terms energy: -109.218496
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -23.385
flat angles P-C4'-P energy: -16.026
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: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -216.947169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.947169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.947169 (E_RNA)
where:
Base-Base interactions energy: -123.486
where: short stacking energy: -79.271
Base-Backbone interact. energy: -0.176
local terms energy: -93.285057
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -10.531
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: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -138.029985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.029985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.029985 (E_RNA)
where:
Base-Base interactions energy: -63.066
where: short stacking energy: -50.617
Base-Backbone interact. energy: -1.266
local terms energy: -73.697524
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -23.737
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -128.333817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.333817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.333817 (E_RNA)
where:
Base-Base interactions energy: -53.671
where: short stacking energy: -47.864
Base-Backbone interact. energy: -0.774
local terms energy: -73.887958
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -6.299
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: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -114.978964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.978964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.978964 (E_RNA)
where:
Base-Base interactions energy: -43.563
where: short stacking energy: -43.563
Base-Backbone interact. energy: -0.116
local terms energy: -71.300431
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -7.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -108.972603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.972603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.972603 (E_RNA)
where:
Base-Base interactions energy: -35.897
where: short stacking energy: -35.721
Base-Backbone interact. energy: -0.156
local terms energy: -72.920336
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -122.069485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.069485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.069485 (E_RNA)
where:
Base-Base interactions energy: -51.241
where: short stacking energy: -20.856
Base-Backbone interact. energy: 0.144
local terms energy: -70.972391
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: 0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -86.783957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.783957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.783957 (E_RNA)
where:
Base-Base interactions energy: -23.966
where: short stacking energy: -23.966
Base-Backbone interact. energy: -0.580
local terms energy: -62.237631
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -255.878991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.878991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.878991 (E_RNA)
where:
Base-Base interactions energy: -150.856
where: short stacking energy: -93.951
Base-Backbone interact. energy: -0.008
local terms energy: -105.014871
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -22.611
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -26.942
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: 402
Temperature: 0.950000
Total energy: -262.134090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.134090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.134090 (E_RNA)
where:
Base-Base interactions energy: -153.595
where: short stacking energy: -95.191
Base-Backbone interact. energy: -0.002
local terms energy: -108.537123
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -30.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -220.673455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.673455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.673455 (E_RNA)
where:
Base-Base interactions energy: -128.321
where: short stacking energy: -72.247
Base-Backbone interact. energy: -0.138
local terms energy: -92.214273
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -24.028
flat angles C4'-P-C4' energy: -20.362
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -183.802813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.802813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.802813 (E_RNA)
where:
Base-Base interactions energy: -103.882
where: short stacking energy: -63.740
Base-Backbone interact. energy: -0.037
local terms energy: -79.883841
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -157.993815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.993815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.993815 (E_RNA)
where:
Base-Base interactions energy: -79.808
where: short stacking energy: -56.689
Base-Backbone interact. energy: -0.348
local terms energy: -77.837898
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -22.683
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -11.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -133.107111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.107111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.107111 (E_RNA)
where:
Base-Base interactions energy: -55.073
where: short stacking energy: -50.408
Base-Backbone interact. energy: 0.798
local terms energy: -78.832223
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -21.731
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -12.630
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: 7, replica: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -136.783136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.783136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.783136 (E_RNA)
where:
Base-Base interactions energy: -63.037
where: short stacking energy: -38.960
Base-Backbone interact. energy: -0.803
local terms energy: -72.943474
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -13.827
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: 8, replica: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -110.056748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.056748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.056748 (E_RNA)
where:
Base-Base interactions energy: -45.656
where: short stacking energy: -36.363
Base-Backbone interact. energy: -0.400
local terms energy: -64.001289
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -25.253
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: 3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -105.819248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.819248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.819248 (E_RNA)
where:
Base-Base interactions energy: -47.055
where: short stacking energy: -47.055
Base-Backbone interact. energy: -0.616
local terms energy: -58.148954
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -91.880163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.880163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.880163 (E_RNA)
where:
Base-Base interactions energy: -32.218
where: short stacking energy: -29.790
Base-Backbone interact. energy: -0.201
local terms energy: -59.460883
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: 1.491
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: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -246.263123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.263123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.263123 (E_RNA)
where:
Base-Base interactions energy: -145.027
where: short stacking energy: -85.165
Base-Backbone interact. energy: -0.545
local terms energy: -100.690614
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -24.658
flat angles P-C4'-P energy: -13.336
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: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -261.588195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.588195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.588195 (E_RNA)
where:
Base-Base interactions energy: -156.280
where: short stacking energy: -93.692
Base-Backbone interact. energy: -0.008
local terms energy: -105.300308
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -28.131
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: 3, replica: 8
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -238.908549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.908549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.908549 (E_RNA)
where:
Base-Base interactions energy: -137.182
where: short stacking energy: -86.470
Base-Backbone interact. energy: -0.085
local terms energy: -101.642098
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -24.946
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: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -198.189342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.189342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.189342 (E_RNA)
where:
Base-Base interactions energy: -114.824
where: short stacking energy: -66.972
Base-Backbone interact. energy: -1.253
local terms energy: -82.111788
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -144.793480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.793480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.793480 (E_RNA)
where:
Base-Base interactions energy: -54.492
where: short stacking energy: -54.492
Base-Backbone interact. energy: -0.023
local terms energy: -90.278759
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -12.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -138.666938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.666938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.666938 (E_RNA)
where:
Base-Base interactions energy: -58.555
where: short stacking energy: -38.471
Base-Backbone interact. energy: -0.199
local terms energy: -79.913352
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -8.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -113.994399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.994399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.994399 (E_RNA)
where:
Base-Base interactions energy: -37.932
where: short stacking energy: -38.132
Base-Backbone interact. energy: -0.023
local terms energy: -76.039432
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -109.842568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.842568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.842568 (E_RNA)
where:
Base-Base interactions energy: -33.960
where: short stacking energy: -33.960
Base-Backbone interact. energy: -1.669
local terms energy: -74.213579
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -1.183
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: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -107.207287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.207287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.207287 (E_RNA)
where:
Base-Base interactions energy: -33.184
where: short stacking energy: -33.184
Base-Backbone interact. energy: 0.396
local terms energy: -74.419292
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -22.117
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -1.240
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: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -90.243048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.243048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.243048 (E_RNA)
where:
Base-Base interactions energy: -31.065
where: short stacking energy: -29.669
Base-Backbone interact. energy: -0.762
local terms energy: -58.415922
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -2.905
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: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -264.744895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.744895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.744895 (E_RNA)
where:
Base-Base interactions energy: -153.931
where: short stacking energy: -89.578
Base-Backbone interact. energy: -0.047
local terms energy: -110.766327
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -28.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -257.669277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.669277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.669277 (E_RNA)
where:
Base-Base interactions energy: -150.011
where: short stacking energy: -88.903
Base-Backbone interact. energy: -0.373
local terms energy: -107.284619
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -28.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -229.037070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.037070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.037070 (E_RNA)
where:
Base-Base interactions energy: -126.235
where: short stacking energy: -91.844
Base-Backbone interact. energy: -0.125
local terms energy: -102.677936
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -24.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -207.966999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.966999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.966999 (E_RNA)
where:
Base-Base interactions energy: -113.388
where: short stacking energy: -70.776
Base-Backbone interact. energy: -0.176
local terms energy: -94.402923
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -14.596
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: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -131.324242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.324242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.324242 (E_RNA)
where:
Base-Base interactions energy: -52.456
where: short stacking energy: -50.313
Base-Backbone interact. energy: 5.932
local terms energy: -84.800677
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -8.835
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: 6, replica: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -121.028325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.028325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.028325 (E_RNA)
where:
Base-Base interactions energy: -40.657
where: short stacking energy: -40.657
Base-Backbone interact. energy: -1.271
local terms energy: -79.100187
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -116.888296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.888296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.888296 (E_RNA)
where:
Base-Base interactions energy: -40.869
where: short stacking energy: -40.869
Base-Backbone interact. energy: 2.228
local terms energy: -78.247544
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -121.648313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.648313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.648313 (E_RNA)
where:
Base-Base interactions energy: -46.408
where: short stacking energy: -40.849
Base-Backbone interact. energy: -0.910
local terms energy: -74.329938
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -11.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -106.253693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.253693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.253693 (E_RNA)
where:
Base-Base interactions energy: -39.750
where: short stacking energy: -35.063
Base-Backbone interact. energy: 0.718
local terms energy: -67.221126
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -109.866703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.866703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.866703 (E_RNA)
where:
Base-Base interactions energy: -43.414
where: short stacking energy: -43.414
Base-Backbone interact. energy: -0.194
local terms energy: -66.258953
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -8.866
flat angles P-C4'-P energy: -11.422
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: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -274.831998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.831998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.831998 (E_RNA)
where:
Base-Base interactions energy: -167.269
where: short stacking energy: -98.902
Base-Backbone interact. energy: -0.024
local terms energy: -107.539065
where:
bonds (distance) C4'-P energy: -21.545
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -28.860
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: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -263.315379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.315379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.315379 (E_RNA)
where:
Base-Base interactions energy: -154.464
where: short stacking energy: -95.692
Base-Backbone interact. energy: -0.182
local terms energy: -108.669502
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -28.765
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: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -213.379825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.379825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.379825 (E_RNA)
where:
Base-Base interactions energy: -120.914
where: short stacking energy: -75.831
Base-Backbone interact. energy: -0.435
local terms energy: -92.031194
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -199.016355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.016355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.016355 (E_RNA)
where:
Base-Base interactions energy: -114.632
where: short stacking energy: -73.256
Base-Backbone interact. energy: -0.026
local terms energy: -84.358309
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -21.367
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -16.163
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: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -154.339284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.339284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.339284 (E_RNA)
where:
Base-Base interactions energy: -70.356
where: short stacking energy: -51.580
Base-Backbone interact. energy: -0.095
local terms energy: -83.888666
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -10.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -121.342853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.342853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.342853 (E_RNA)
where:
Base-Base interactions energy: -46.743
where: short stacking energy: -46.743
Base-Backbone interact. energy: -0.133
local terms energy: -74.467044
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -21.338
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -122.081135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.081135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.081135 (E_RNA)
where:
Base-Base interactions energy: -44.462
where: short stacking energy: -40.156
Base-Backbone interact. energy: -0.138
local terms energy: -77.481354
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -105.114927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.114927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.114927 (E_RNA)
where:
Base-Base interactions energy: -36.406
where: short stacking energy: -34.906
Base-Backbone interact. energy: -0.291
local terms energy: -68.418689
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -21.201
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -100.669499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.669499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.669499 (E_RNA)
where:
Base-Base interactions energy: -41.214
where: short stacking energy: -29.103
Base-Backbone interact. energy: 0.501
local terms energy: -59.956728
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: 1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -93.839866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.839866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.839866 (E_RNA)
where:
Base-Base interactions energy: -24.023
where: short stacking energy: -22.366
Base-Backbone interact. energy: -0.074
local terms energy: -69.743155
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -270.464242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.464242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.464242 (E_RNA)
where:
Base-Base interactions energy: -163.853
where: short stacking energy: -95.947
Base-Backbone interact. energy: -0.244
local terms energy: -106.366908
where:
bonds (distance) C4'-P energy: -23.127
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -11.091
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: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -243.593506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.593506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.593506 (E_RNA)
where:
Base-Base interactions energy: -139.009
where: short stacking energy: -81.245
Base-Backbone interact. energy: -0.083
local terms energy: -104.501603
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -21.323
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -16.825
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: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -202.733559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.733559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.733559 (E_RNA)
where:
Base-Base interactions energy: -108.739
where: short stacking energy: -69.718
Base-Backbone interact. energy: -0.144
local terms energy: -93.850123
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -201.820641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.820641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.820641 (E_RNA)
where:
Base-Base interactions energy: -111.588
where: short stacking energy: -70.232
Base-Backbone interact. energy: -0.010
local terms energy: -90.222548
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -13.277
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: 5, replica: 5
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -130.245597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.245597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.245597 (E_RNA)
where:
Base-Base interactions energy: -51.263
where: short stacking energy: -51.263
Base-Backbone interact. energy: -0.664
local terms energy: -78.318570
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -10.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -127.418891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.418891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.418891 (E_RNA)
where:
Base-Base interactions energy: -52.777
where: short stacking energy: -47.111
Base-Backbone interact. energy: -0.273
local terms energy: -74.368915
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -8.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -120.503077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.503077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.503077 (E_RNA)
where:
Base-Base interactions energy: -56.328
where: short stacking energy: -51.279
Base-Backbone interact. energy: -0.521
local terms energy: -63.653643
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -113.116257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.116257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.116257 (E_RNA)
where:
Base-Base interactions energy: -48.160
where: short stacking energy: -46.909
Base-Backbone interact. energy: -0.786
local terms energy: -64.169895
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -93.916080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.916080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.916080 (E_RNA)
where:
Base-Base interactions energy: -37.978
where: short stacking energy: -37.978
Base-Backbone interact. energy: 0.667
local terms energy: -56.605100
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -103.687782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.687782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.687782 (E_RNA)
where:
Base-Base interactions energy: -40.959
where: short stacking energy: -40.959
Base-Backbone interact. energy: 0.289
local terms energy: -63.017975
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -268.525164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.525164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.525164 (E_RNA)
where:
Base-Base interactions energy: -166.200
where: short stacking energy: -105.866
Base-Backbone interact. energy: 0.288
local terms energy: -102.613922
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -29.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -236.056042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.056042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.056042 (E_RNA)
where:
Base-Base interactions energy: -140.996
where: short stacking energy: -80.434
Base-Backbone interact. energy: -0.040
local terms energy: -95.019984
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -23.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -201.182893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.182893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.182893 (E_RNA)
where:
Base-Base interactions energy: -113.680
where: short stacking energy: -67.691
Base-Backbone interact. energy: -0.156
local terms energy: -87.346399
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -24.028
flat angles P-C4'-P energy: -2.326
tors. eta vs tors. theta energy: -19.637
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: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -213.119055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.119055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.119055 (E_RNA)
where:
Base-Base interactions energy: -119.317
where: short stacking energy: -62.857
Base-Backbone interact. energy: -0.209
local terms energy: -93.592719
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -17.969
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: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -145.425724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.425724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.425724 (E_RNA)
where:
Base-Base interactions energy: -69.589
where: short stacking energy: -66.959
Base-Backbone interact. energy: -0.101
local terms energy: -75.735949
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -9.962
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: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -135.459081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.459081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.459081 (E_RNA)
where:
Base-Base interactions energy: -59.110
where: short stacking energy: -45.020
Base-Backbone interact. energy: -0.123
local terms energy: -76.226374
where:
bonds (distance) C4'-P energy: -20.347
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -140.371686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.371686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.371686 (E_RNA)
where:
Base-Base interactions energy: -62.790
where: short stacking energy: -32.953
Base-Backbone interact. energy: -0.265
local terms energy: -77.316772
where:
bonds (distance) C4'-P energy: -23.369
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -100.674104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.674104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.674104 (E_RNA)
where:
Base-Base interactions energy: -36.769
where: short stacking energy: -33.046
Base-Backbone interact. energy: -0.426
local terms energy: -63.479106
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -112.228973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.228973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.228973 (E_RNA)
where:
Base-Base interactions energy: -41.413
where: short stacking energy: -41.413
Base-Backbone interact. energy: -0.572
local terms energy: -70.244724
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -6.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -97.230944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.230944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.230944 (E_RNA)
where:
Base-Base interactions energy: -40.768
where: short stacking energy: -33.391
Base-Backbone interact. energy: -0.332
local terms energy: -56.130780
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -261.600183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.600183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.600183 (E_RNA)
where:
Base-Base interactions energy: -152.653
where: short stacking energy: -92.368
Base-Backbone interact. energy: -0.000
local terms energy: -108.946831
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -29.041
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: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -235.092360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.092360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.092360 (E_RNA)
where:
Base-Base interactions energy: -134.981
where: short stacking energy: -73.795
Base-Backbone interact. energy: -0.188
local terms energy: -99.923249
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -22.121
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -16.192
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: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -237.133222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.133222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.133222 (E_RNA)
where:
Base-Base interactions energy: -132.064
where: short stacking energy: -88.888
Base-Backbone interact. energy: -0.092
local terms energy: -104.977181
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -18.623
tors. eta vs tors. theta energy: -29.079
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: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -203.038615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.038615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.038615 (E_RNA)
where:
Base-Base interactions energy: -112.266
where: short stacking energy: -72.155
Base-Backbone interact. energy: -0.054
local terms energy: -90.718587
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -188.683865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.683865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.683865 (E_RNA)
where:
Base-Base interactions energy: -103.132
where: short stacking energy: -65.685
Base-Backbone interact. energy: -0.541
local terms energy: -85.010212
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -123.432222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.432222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.432222 (E_RNA)
where:
Base-Base interactions energy: -46.967
where: short stacking energy: -46.967
Base-Backbone interact. energy: -0.113
local terms energy: -76.351563
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: -9.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -121.224279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.224279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.224279 (E_RNA)
where:
Base-Base interactions energy: -57.874
where: short stacking energy: -23.022
Base-Backbone interact. energy: -0.592
local terms energy: -62.757979
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: -0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -107.331681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.331681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.331681 (E_RNA)
where:
Base-Base interactions energy: -30.676
where: short stacking energy: -30.665
Base-Backbone interact. energy: -0.698
local terms energy: -75.957774
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: 0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -119.714117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.714117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.714117 (E_RNA)
where:
Base-Base interactions energy: -52.731
where: short stacking energy: -47.667
Base-Backbone interact. energy: -0.060
local terms energy: -66.923808
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -8.781
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -8.963
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: 10, replica: 4
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -105.529808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.529808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.529808 (E_RNA)
where:
Base-Base interactions energy: -41.189
where: short stacking energy: -41.189
Base-Backbone interact. energy: 1.780
local terms energy: -66.120719
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -267.762701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.762701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.762701 (E_RNA)
where:
Base-Base interactions energy: -158.212
where: short stacking energy: -93.972
Base-Backbone interact. energy: -0.023
local terms energy: -109.527259
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -24.098
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -29.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -227.975084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.975084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.975084 (E_RNA)
where:
Base-Base interactions energy: -126.685
where: short stacking energy: -73.052
Base-Backbone interact. energy: -0.033
local terms energy: -101.257738
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -25.693
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -22.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -232.366383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.366383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.366383 (E_RNA)
where:
Base-Base interactions energy: -131.399
where: short stacking energy: -75.705
Base-Backbone interact. energy: -0.166
local terms energy: -100.800858
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -23.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -212.126272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.126272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.126272 (E_RNA)
where:
Base-Base interactions energy: -108.153
where: short stacking energy: -65.274
Base-Backbone interact. energy: -0.651
local terms energy: -103.322388
where:
bonds (distance) C4'-P energy: -20.228
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -22.346
flat angles P-C4'-P energy: -19.362
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: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -195.057071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.057071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.057071 (E_RNA)
where:
Base-Base interactions energy: -114.330
where: short stacking energy: -71.006
Base-Backbone interact. energy: -0.174
local terms energy: -80.553108
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -16.770
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: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -127.911549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.911549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.911549 (E_RNA)
where:
Base-Base interactions energy: -54.770
where: short stacking energy: -43.727
Base-Backbone interact. energy: 0.998
local terms energy: -74.138686
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -119.436882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.436882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.436882 (E_RNA)
where:
Base-Base interactions energy: -35.555
where: short stacking energy: -35.555
Base-Backbone interact. energy: -0.252
local terms energy: -83.628910
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -10.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -126.526258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.526258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.526258 (E_RNA)
where:
Base-Base interactions energy: -60.198
where: short stacking energy: -43.860
Base-Backbone interact. energy: 0.355
local terms energy: -66.683784
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -104.741280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.741280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.741280 (E_RNA)
where:
Base-Base interactions energy: -41.094
where: short stacking energy: -38.617
Base-Backbone interact. energy: -0.411
local terms energy: -63.235584
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -107.109805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.109805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.109805 (E_RNA)
where:
Base-Base interactions energy: -37.670
where: short stacking energy: -35.873
Base-Backbone interact. energy: -0.258
local terms energy: -69.181275
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -275.294260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.294260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.294260 (E_RNA)
where:
Base-Base interactions energy: -162.474
where: short stacking energy: -100.730
Base-Backbone interact. energy: -0.002
local terms energy: -112.817839
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -26.459
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -28.622
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: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -246.449533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.449533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.449533 (E_RNA)
where:
Base-Base interactions energy: -131.082
where: short stacking energy: -92.349
Base-Backbone interact. energy: 0.360
local terms energy: -115.728361
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -32.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -217.932876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.932876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.932876 (E_RNA)
where:
Base-Base interactions energy: -128.400
where: short stacking energy: -73.583
Base-Backbone interact. energy: -0.026
local terms energy: -89.506804
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -208.362893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.362893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.362893 (E_RNA)
where:
Base-Base interactions energy: -113.329
where: short stacking energy: -65.888
Base-Backbone interact. energy: -0.011
local terms energy: -95.022825
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -19.974
tors. eta vs tors. theta energy: -19.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -195.291108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.291108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.291108 (E_RNA)
where:
Base-Base interactions energy: -103.942
where: short stacking energy: -65.120
Base-Backbone interact. energy: -0.990
local terms energy: -90.358731
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -22.600
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -134.157429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.157429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.157429 (E_RNA)
where:
Base-Base interactions energy: -57.053
where: short stacking energy: -46.286
Base-Backbone interact. energy: -0.120
local terms energy: -76.984479
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -12.193
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: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -117.223672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.223672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.223672 (E_RNA)
where:
Base-Base interactions energy: -50.595
where: short stacking energy: -47.022
Base-Backbone interact. energy: -0.395
local terms energy: -66.233591
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -106.532077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.532077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.532077 (E_RNA)
where:
Base-Base interactions energy: -36.154
where: short stacking energy: -23.531
Base-Backbone interact. energy: -0.125
local terms energy: -70.252367
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -104.366693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.366693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.366693 (E_RNA)
where:
Base-Base interactions energy: -28.711
where: short stacking energy: -28.426
Base-Backbone interact. energy: -0.113
local terms energy: -75.542335
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -23.040
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -15.470
tors. eta vs tors. theta energy: -2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -98.937676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.937676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.937676 (E_RNA)
where:
Base-Base interactions energy: -33.118
where: short stacking energy: -33.118
Base-Backbone interact. energy: -0.229
local terms energy: -65.591029
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -3.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -275.298134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.298134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.298134 (E_RNA)
where:
Base-Base interactions energy: -174.086
where: short stacking energy: -99.172
Base-Backbone interact. energy: -0.494
local terms energy: -100.717780
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -23.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -251.857724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.857724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.857724 (E_RNA)
where:
Base-Base interactions energy: -141.774
where: short stacking energy: -98.063
Base-Backbone interact. energy: 0.372
local terms energy: -110.455204
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: -29.653
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: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -250.679848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.679848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.679848 (E_RNA)
where:
Base-Base interactions energy: -143.412
where: short stacking energy: -83.321
Base-Backbone interact. energy: -0.075
local terms energy: -107.192738
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -16.836
tors. eta vs tors. theta energy: -25.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -217.793961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.793961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.793961 (E_RNA)
where:
Base-Base interactions energy: -124.815
where: short stacking energy: -76.804
Base-Backbone interact. energy: -0.085
local terms energy: -92.894284
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -13.483
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: 5, replica: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -212.367051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.367051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.367051 (E_RNA)
where:
Base-Base interactions energy: -115.963
where: short stacking energy: -74.316
Base-Backbone interact. energy: -0.005
local terms energy: -96.399025
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -125.571159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.571159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.571159 (E_RNA)
where:
Base-Base interactions energy: -50.958
where: short stacking energy: -50.958
Base-Backbone interact. energy: -0.062
local terms energy: -74.550681
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -12.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -108.283535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.283535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.283535 (E_RNA)
where:
Base-Base interactions energy: -47.447
where: short stacking energy: -47.447
Base-Backbone interact. energy: -0.652
local terms energy: -60.184561
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -111.120278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.120278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.120278 (E_RNA)
where:
Base-Base interactions energy: -45.781
where: short stacking energy: -32.741
Base-Backbone interact. energy: -0.044
local terms energy: -65.295324
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -103.081209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.081209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.081209 (E_RNA)
where:
Base-Base interactions energy: -33.609
where: short stacking energy: -31.131
Base-Backbone interact. energy: -0.056
local terms energy: -69.415703
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -22.025
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: 1.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -107.892768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.892768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.892768 (E_RNA)
where:
Base-Base interactions energy: -33.624
where: short stacking energy: -33.624
Base-Backbone interact. energy: -0.143
local terms energy: -74.125569
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -22.667
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -276.540049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.540049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.540049 (E_RNA)
where:
Base-Base interactions energy: -173.780
where: short stacking energy: -103.890
Base-Backbone interact. energy: -0.024
local terms energy: -102.736108
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -25.893
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -26.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -259.927073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.927073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.927073 (E_RNA)
where:
Base-Base interactions energy: -150.620
where: short stacking energy: -107.064
Base-Backbone interact. energy: -0.031
local terms energy: -109.276311
where:
bonds (distance) C4'-P energy: -24.054
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -23.769
flat angles P-C4'-P energy: -15.640
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: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -244.922600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.922600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.922600 (E_RNA)
where:
Base-Base interactions energy: -136.826
where: short stacking energy: -85.198
Base-Backbone interact. energy: -0.016
local terms energy: -108.080606
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -24.183
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -24.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -215.335008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.335008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.335008 (E_RNA)
where:
Base-Base interactions energy: -124.882
where: short stacking energy: -79.159
Base-Backbone interact. energy: 0.857
local terms energy: -91.309798
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -14.747
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: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -202.197287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.197287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.197287 (E_RNA)
where:
Base-Base interactions energy: -114.416
where: short stacking energy: -74.800
Base-Backbone interact. energy: -0.006
local terms energy: -87.774654
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -15.399
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: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -119.679678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.679678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.679678 (E_RNA)
where:
Base-Base interactions energy: -48.264
where: short stacking energy: -45.392
Base-Backbone interact. energy: -0.177
local terms energy: -71.239452
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -13.042
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: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -120.321568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.321568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.321568 (E_RNA)
where:
Base-Base interactions energy: -44.150
where: short stacking energy: -37.413
Base-Backbone interact. energy: -0.291
local terms energy: -75.880021
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -3.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -112.045166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.045166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.045166 (E_RNA)
where:
Base-Base interactions energy: -43.506
where: short stacking energy: -42.963
Base-Backbone interact. energy: -0.362
local terms energy: -68.176793
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -107.243532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.243532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.243532 (E_RNA)
where:
Base-Base interactions energy: -45.085
where: short stacking energy: -40.631
Base-Backbone interact. energy: 0.011
local terms energy: -62.169349
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -7.359
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: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -98.161666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.161666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.161666 (E_RNA)
where:
Base-Base interactions energy: -29.662
where: short stacking energy: -29.662
Base-Backbone interact. energy: 0.475
local terms energy: -68.974205
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -22.866
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -6.551
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: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -266.891167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.891167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.891167 (E_RNA)
where:
Base-Base interactions energy: -157.151
where: short stacking energy: -96.186
Base-Backbone interact. energy: -1.840
local terms energy: -107.899930
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -29.627
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: 9
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -253.389174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.389174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.389174 (E_RNA)
where:
Base-Base interactions energy: -147.226
where: short stacking energy: -88.503
Base-Backbone interact. energy: -0.063
local terms energy: -106.099852
where:
bonds (distance) C4'-P energy: -24.435
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -25.854
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: 8
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -216.497796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.497796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.497796 (E_RNA)
where:
Base-Base interactions energy: -123.544
where: short stacking energy: -74.031
Base-Backbone interact. energy: 0.594
local terms energy: -93.548304
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -192.222212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.222212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.222212 (E_RNA)
where:
Base-Base interactions energy: -104.702
where: short stacking energy: -63.888
Base-Backbone interact. energy: 0.330
local terms energy: -87.850202
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -200.507891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.507891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.507891 (E_RNA)
where:
Base-Base interactions energy: -123.776
where: short stacking energy: -62.320
Base-Backbone interact. energy: 0.447
local terms energy: -77.178736
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -116.308968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.308968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.308968 (E_RNA)
where:
Base-Base interactions energy: -44.039
where: short stacking energy: -39.261
Base-Backbone interact. energy: -0.097
local terms energy: -72.173176
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -20.724
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -126.087735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.087735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.087735 (E_RNA)
where:
Base-Base interactions energy: -44.013
where: short stacking energy: -33.683
Base-Backbone interact. energy: 0.450
local terms energy: -82.523960
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -23.121
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -11.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -115.846813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.846813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.846813 (E_RNA)
where:
Base-Base interactions energy: -39.674
where: short stacking energy: -39.674
Base-Backbone interact. energy: -0.014
local terms energy: -76.159318
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -12.149
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: 9, replica: 4
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -111.781367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.781367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.781367 (E_RNA)
where:
Base-Base interactions energy: -40.970
where: short stacking energy: -39.753
Base-Backbone interact. energy: -0.211
local terms energy: -70.600481
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -115.582293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.582293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.582293 (E_RNA)
where:
Base-Base interactions energy: -45.683
where: short stacking energy: -40.628
Base-Backbone interact. energy: -0.118
local terms energy: -69.781089
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -9.688
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: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -247.077773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.077773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.077773 (E_RNA)
where:
Base-Base interactions energy: -143.620
where: short stacking energy: -80.527
Base-Backbone interact. energy: -0.310
local terms energy: -103.147754
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -22.133
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -25.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -257.370898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.370898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.370898 (E_RNA)
where:
Base-Base interactions energy: -148.347
where: short stacking energy: -85.259
Base-Backbone interact. energy: -0.021
local terms energy: -109.002826
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -21.300
flat angles P-C4'-P energy: -15.615
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: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -220.599856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.599856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.599856 (E_RNA)
where:
Base-Base interactions energy: -121.008
where: short stacking energy: -76.829
Base-Backbone interact. energy: -0.017
local terms energy: -99.575397
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -208.140095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.140095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.140095 (E_RNA)
where:
Base-Base interactions energy: -127.250
where: short stacking energy: -78.183
Base-Backbone interact. energy: -0.593
local terms energy: -80.296809
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -15.670
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: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -204.104178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.104178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.104178 (E_RNA)
where:
Base-Base interactions energy: -115.418
where: short stacking energy: -61.604
Base-Backbone interact. energy: -0.121
local terms energy: -88.564603
where:
bonds (distance) C4'-P energy: -24.386
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -124.884307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.884307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.884307 (E_RNA)
where:
Base-Base interactions energy: -49.122
where: short stacking energy: -40.962
Base-Backbone interact. energy: -0.495
local terms energy: -75.266893
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -132.202095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.202095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.202095 (E_RNA)
where:
Base-Base interactions energy: -57.825
where: short stacking energy: -32.628
Base-Backbone interact. energy: 1.260
local terms energy: -75.636804
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -13.200
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: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -108.038191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.038191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.038191 (E_RNA)
where:
Base-Base interactions energy: -39.571
where: short stacking energy: -39.571
Base-Backbone interact. energy: -0.250
local terms energy: -68.217135
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -105.842033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.842033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.842033 (E_RNA)
where:
Base-Base interactions energy: -32.520
where: short stacking energy: -32.458
Base-Backbone interact. energy: 0.169
local terms energy: -73.490870
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -26.459
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -96.532323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.532323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.532323 (E_RNA)
where:
Base-Base interactions energy: -31.278
where: short stacking energy: -31.278
Base-Backbone interact. energy: 0.046
local terms energy: -65.300919
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -7.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -272.089000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.089000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.089000 (E_RNA)
where:
Base-Base interactions energy: -158.587
where: short stacking energy: -95.225
Base-Backbone interact. energy: -0.099
local terms energy: -113.402984
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -25.736
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -29.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -246.319794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.319794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.319794 (E_RNA)
where:
Base-Base interactions energy: -148.535
where: short stacking energy: -75.770
Base-Backbone interact. energy: -0.103
local terms energy: -97.681835
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -221.193867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.193867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.193867 (E_RNA)
where:
Base-Base interactions energy: -119.966
where: short stacking energy: -71.962
Base-Backbone interact. energy: 0.203
local terms energy: -101.430921
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -19.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -208.069886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.069886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.069886 (E_RNA)
where:
Base-Base interactions energy: -113.580
where: short stacking energy: -57.239
Base-Backbone interact. energy: -0.235
local terms energy: -94.254240
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -11.299
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: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -207.956291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.956291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.956291 (E_RNA)
where:
Base-Base interactions energy: -111.399
where: short stacking energy: -72.244
Base-Backbone interact. energy: -0.148
local terms energy: -96.409271
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -17.132
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: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -129.545459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.545459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.545459 (E_RNA)
where:
Base-Base interactions energy: -58.081
where: short stacking energy: -36.862
Base-Backbone interact. energy: -0.366
local terms energy: -71.098562
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -115.746840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.746840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.746840 (E_RNA)
where:
Base-Base interactions energy: -35.148
where: short stacking energy: -31.074
Base-Backbone interact. energy: -0.126
local terms energy: -80.473680
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: 0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -103.902239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.902239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.902239 (E_RNA)
where:
Base-Base interactions energy: -32.191
where: short stacking energy: -31.920
Base-Backbone interact. energy: -0.416
local terms energy: -71.294432
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -101.335010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.335010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.335010 (E_RNA)
where:
Base-Base interactions energy: -30.658
where: short stacking energy: -25.074
Base-Backbone interact. energy: -0.164
local terms energy: -70.512694
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: 0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -90.103380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.103380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.103380 (E_RNA)
where:
Base-Base interactions energy: -22.833
where: short stacking energy: -22.728
Base-Backbone interact. energy: -0.198
local terms energy: -67.072614
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: 0.024
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: 416
Temperature: 0.900000
Total energy: -260.858438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.858438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.858438 (E_RNA)
where:
Base-Base interactions energy: -151.891
where: short stacking energy: -93.406
Base-Backbone interact. energy: -0.105
local terms energy: -108.861855
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -20.808
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -26.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -224.040168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.040168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.040168 (E_RNA)
where:
Base-Base interactions energy: -129.947
where: short stacking energy: -76.847
Base-Backbone interact. energy: -2.038
local terms energy: -92.055665
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -234.625212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.625212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.625212 (E_RNA)
where:
Base-Base interactions energy: -133.063
where: short stacking energy: -89.275
Base-Backbone interact. energy: -0.004
local terms energy: -101.558644
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -19.342
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: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -194.412915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.412915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.412915 (E_RNA)
where:
Base-Base interactions energy: -106.447
where: short stacking energy: -68.368
Base-Backbone interact. energy: -0.283
local terms energy: -87.683113
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -10.374
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: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -174.366367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.366367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.366367 (E_RNA)
where:
Base-Base interactions energy: -97.670
where: short stacking energy: -61.276
Base-Backbone interact. energy: -0.138
local terms energy: -76.557968
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -12.501
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: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -120.251802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.251802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.251802 (E_RNA)
where:
Base-Base interactions energy: -47.409
where: short stacking energy: -39.071
Base-Backbone interact. energy: -0.315
local terms energy: -72.527941
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -111.887904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.887904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.887904 (E_RNA)
where:
Base-Base interactions energy: -37.365
where: short stacking energy: -30.828
Base-Backbone interact. energy: 1.922
local terms energy: -76.445661
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -21.398
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -114.902338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.902338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.902338 (E_RNA)
where:
Base-Base interactions energy: -39.949
where: short stacking energy: -39.949
Base-Backbone interact. energy: 0.192
local terms energy: -75.145641
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -1.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -110.816905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.816905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.816905 (E_RNA)
where:
Base-Base interactions energy: -47.784
where: short stacking energy: -34.807
Base-Backbone interact. energy: -0.085
local terms energy: -62.947363
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: 0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -96.190948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.190948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.190948 (E_RNA)
where:
Base-Base interactions energy: -23.810
where: short stacking energy: -22.689
Base-Backbone interact. energy: -0.219
local terms energy: -72.161423
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -11.783
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: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -269.399081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.399081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.399081 (E_RNA)
where:
Base-Base interactions energy: -160.960
where: short stacking energy: -99.537
Base-Backbone interact. energy: -0.006
local terms energy: -108.432571
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -24.358
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -28.034
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: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -241.094297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.094297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.094297 (E_RNA)
where:
Base-Base interactions energy: -150.056
where: short stacking energy: -86.320
Base-Backbone interact. energy: -0.071
local terms energy: -90.967428
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -223.069301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.069301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.069301 (E_RNA)
where:
Base-Base interactions energy: -127.043
where: short stacking energy: -77.053
Base-Backbone interact. energy: -0.651
local terms energy: -95.375012
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: -21.272
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: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -188.822236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.822236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.822236 (E_RNA)
where:
Base-Base interactions energy: -106.436
where: short stacking energy: -70.975
Base-Backbone interact. energy: -0.028
local terms energy: -82.358288
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -10.962
flat angles C4'-P-C4' energy: -23.736
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -182.372317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.372317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.372317 (E_RNA)
where:
Base-Base interactions energy: -94.687
where: short stacking energy: -56.401
Base-Backbone interact. energy: -0.076
local terms energy: -87.609439
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -21.230
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -13.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -123.699538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.699538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.699538 (E_RNA)
where:
Base-Base interactions energy: -45.944
where: short stacking energy: -43.633
Base-Backbone interact. energy: -0.340
local terms energy: -77.415359
where:
bonds (distance) C4'-P energy: -23.678
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -134.537745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.537745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.537745 (E_RNA)
where:
Base-Base interactions energy: -56.205
where: short stacking energy: -56.205
Base-Backbone interact. energy: 0.411
local terms energy: -78.743855
where:
bonds (distance) C4'-P energy: -19.291
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -125.135186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.135186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.135186 (E_RNA)
where:
Base-Base interactions energy: -51.419
where: short stacking energy: -46.350
Base-Backbone interact. energy: -0.190
local terms energy: -73.526231
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -11.051
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: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -102.012895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.012895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.012895 (E_RNA)
where:
Base-Base interactions energy: -39.284
where: short stacking energy: -37.848
Base-Backbone interact. energy: 3.391
local terms energy: -66.120068
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -14.638
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: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -101.980339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.980339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.980339 (E_RNA)
where:
Base-Base interactions energy: -38.431
where: short stacking energy: -33.292
Base-Backbone interact. energy: 0.012
local terms energy: -63.560976
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -8.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -271.859725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.859725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.859725 (E_RNA)
where:
Base-Base interactions energy: -167.588
where: short stacking energy: -94.887
Base-Backbone interact. energy: -0.060
local terms energy: -104.212111
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -27.325
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: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -244.997065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.997065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.997065 (E_RNA)
where:
Base-Base interactions energy: -139.203
where: short stacking energy: -84.409
Base-Backbone interact. energy: -0.212
local terms energy: -105.581828
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -25.982
flat angles P-C4'-P energy: -12.700
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: 3, replica: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -235.439397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.439397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.439397 (E_RNA)
where:
Base-Base interactions energy: -131.562
where: short stacking energy: -77.068
Base-Backbone interact. energy: 0.155
local terms energy: -104.032332
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -27.420
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: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -215.061966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.061966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.061966 (E_RNA)
where:
Base-Base interactions energy: -114.932
where: short stacking energy: -76.309
Base-Backbone interact. energy: 0.480
local terms energy: -100.610041
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -23.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -200.365334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.365334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.365334 (E_RNA)
where:
Base-Base interactions energy: -116.213
where: short stacking energy: -78.356
Base-Backbone interact. energy: -0.226
local terms energy: -83.925613
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -13.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -122.846782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.846782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.846782 (E_RNA)
where:
Base-Base interactions energy: -36.022
where: short stacking energy: -36.022
Base-Backbone interact. energy: -0.413
local terms energy: -86.410841
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -121.830355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.830355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.830355 (E_RNA)
where:
Base-Base interactions energy: -42.547
where: short stacking energy: -41.694
Base-Backbone interact. energy: -0.616
local terms energy: -78.667153
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -109.591224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.591224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.591224 (E_RNA)
where:
Base-Base interactions energy: -39.756
where: short stacking energy: -32.081
Base-Backbone interact. energy: -0.215
local terms energy: -69.620320
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -2.019
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: 418
Temperature: 1.300000
Total energy: -107.813587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.813587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.813587 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -34.601
Base-Backbone interact. energy: -0.260
local terms energy: -69.217856
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -100.935210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.935210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.935210 (E_RNA)
where:
Base-Base interactions energy: -45.176
where: short stacking energy: -27.037
Base-Backbone interact. energy: -0.519
local terms energy: -55.240132
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -1.486
tors. eta vs tors. theta energy: 2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -279.452829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.452829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.452829 (E_RNA)
where:
Base-Base interactions energy: -172.420
where: short stacking energy: -97.254
Base-Backbone interact. energy: -0.007
local terms energy: -107.025243
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -30.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -234.869927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.869927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.869927 (E_RNA)
where:
Base-Base interactions energy: -139.708
where: short stacking energy: -78.556
Base-Backbone interact. energy: -0.089
local terms energy: -95.073473
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -22.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -247.016338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.016338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.016338 (E_RNA)
where:
Base-Base interactions energy: -144.383
where: short stacking energy: -88.327
Base-Backbone interact. energy: 0.466
local terms energy: -103.099531
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -22.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -201.287031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.287031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.287031 (E_RNA)
where:
Base-Base interactions energy: -109.131
where: short stacking energy: -63.112
Base-Backbone interact. energy: -0.101
local terms energy: -92.054435
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -188.982633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.982633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.982633 (E_RNA)
where:
Base-Base interactions energy: -98.992
where: short stacking energy: -61.926
Base-Backbone interact. energy: -0.041
local terms energy: -89.949636
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -129.655201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.655201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.655201 (E_RNA)
where:
Base-Base interactions energy: -49.278
where: short stacking energy: -49.978
Base-Backbone interact. energy: -0.110
local terms energy: -80.267477
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -124.641363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.641363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.641363 (E_RNA)
where:
Base-Base interactions energy: -42.992
where: short stacking energy: -40.274
Base-Backbone interact. energy: -1.655
local terms energy: -79.993529
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -120.631100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.631100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.631100 (E_RNA)
where:
Base-Base interactions energy: -54.374
where: short stacking energy: -34.499
Base-Backbone interact. energy: 1.016
local terms energy: -67.273315
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -22.952
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -102.608024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.608024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.608024 (E_RNA)
where:
Base-Base interactions energy: -31.576
where: short stacking energy: -31.576
Base-Backbone interact. energy: -0.060
local terms energy: -70.971454
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -8.358
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: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -109.163646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.163646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.163646 (E_RNA)
where:
Base-Base interactions energy: -44.634
where: short stacking energy: -28.613
Base-Backbone interact. energy: 0.791
local terms energy: -65.320863
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -6.253
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: 420
Temperature: 0.900000
Total energy: -277.538021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.538021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.538021 (E_RNA)
where:
Base-Base interactions energy: -170.018
where: short stacking energy: -97.174
Base-Backbone interact. energy: -1.340
local terms energy: -106.180538
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -20.018
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -31.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -222.233897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.233897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.233897 (E_RNA)
where:
Base-Base interactions energy: -123.339
where: short stacking energy: -70.066
Base-Backbone interact. energy: -0.182
local terms energy: -98.712882
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -236.439031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.439031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.439031 (E_RNA)
where:
Base-Base interactions energy: -143.632
where: short stacking energy: -86.426
Base-Backbone interact. energy: -0.252
local terms energy: -92.554694
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -205.327721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.327721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.327721 (E_RNA)
where:
Base-Base interactions energy: -114.954
where: short stacking energy: -71.512
Base-Backbone interact. energy: -0.416
local terms energy: -89.957744
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -20.916
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -198.019606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.019606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.019606 (E_RNA)
where:
Base-Base interactions energy: -107.587
where: short stacking energy: -63.025
Base-Backbone interact. energy: 1.326
local terms energy: -91.757909
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -15.686
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: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -122.940209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.940209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.940209 (E_RNA)
where:
Base-Base interactions energy: -41.175
where: short stacking energy: -37.517
Base-Backbone interact. energy: -0.275
local terms energy: -81.490831
where:
bonds (distance) C4'-P energy: -20.069
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -121.061204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.061204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.061204 (E_RNA)
where:
Base-Base interactions energy: -42.932
where: short stacking energy: -40.474
Base-Backbone interact. energy: -0.344
local terms energy: -77.785480
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -104.733060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.733060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.733060 (E_RNA)
where:
Base-Base interactions energy: -42.069
where: short stacking energy: -42.069
Base-Backbone interact. energy: -0.346
local terms energy: -62.318513
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -107.169136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.169136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.169136 (E_RNA)
where:
Base-Base interactions energy: -37.991
where: short stacking energy: -37.991
Base-Backbone interact. energy: -0.087
local terms energy: -69.091470
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -98.789897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.789897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.789897 (E_RNA)
where:
Base-Base interactions energy: -34.429
where: short stacking energy: -34.429
Base-Backbone interact. energy: -0.457
local terms energy: -63.903957
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -23.653
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -268.831365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.831365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.831365 (E_RNA)
where:
Base-Base interactions energy: -158.559
where: short stacking energy: -93.301
Base-Backbone interact. energy: -0.184
local terms energy: -110.088409
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -28.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -233.127367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.127367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.127367 (E_RNA)
where:
Base-Base interactions energy: -134.257
where: short stacking energy: -74.390
Base-Backbone interact. energy: -0.201
local terms energy: -98.669243
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -216.647464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.647464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.647464 (E_RNA)
where:
Base-Base interactions energy: -120.660
where: short stacking energy: -77.164
Base-Backbone interact. energy: -0.064
local terms energy: -95.923446
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -17.984
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: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -211.329212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.329212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.329212 (E_RNA)
where:
Base-Base interactions energy: -112.942
where: short stacking energy: -69.783
Base-Backbone interact. energy: -0.169
local terms energy: -98.217939
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -22.750
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -22.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -185.399560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.399560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.399560 (E_RNA)
where:
Base-Base interactions energy: -102.563
where: short stacking energy: -63.884
Base-Backbone interact. energy: -0.532
local terms energy: -82.304187
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -11.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -123.234664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.234664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.234664 (E_RNA)
where:
Base-Base interactions energy: -35.681
where: short stacking energy: -35.640
Base-Backbone interact. energy: -0.174
local terms energy: -87.379295
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -12.264
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: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -120.198946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.198946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.198946 (E_RNA)
where:
Base-Base interactions energy: -52.430
where: short stacking energy: -52.430
Base-Backbone interact. energy: -0.029
local terms energy: -67.740336
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -11.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -113.168850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.168850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.168850 (E_RNA)
where:
Base-Base interactions energy: -44.271
where: short stacking energy: -25.788
Base-Backbone interact. energy: -1.165
local terms energy: -67.733003
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -14.793
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: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -106.491451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.491451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.491451 (E_RNA)
where:
Base-Base interactions energy: -41.202
where: short stacking energy: -40.522
Base-Backbone interact. energy: -0.274
local terms energy: -65.015077
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -6.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -97.972584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.972584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.972584 (E_RNA)
where:
Base-Base interactions energy: -26.564
where: short stacking energy: -26.564
Base-Backbone interact. energy: -0.247
local terms energy: -71.161902
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -267.835838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.835838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.835838 (E_RNA)
where:
Base-Base interactions energy: -155.148
where: short stacking energy: -95.769
Base-Backbone interact. energy: -0.043
local terms energy: -112.644176
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -22.041
flat angles C4'-P-C4' energy: -23.779
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -26.936
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: 9
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -256.593280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.593280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.593280 (E_RNA)
where:
Base-Base interactions energy: -150.871
where: short stacking energy: -94.241
Base-Backbone interact. energy: -0.069
local terms energy: -105.653624
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -22.750
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: -26.290
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: 422
Temperature: 1.000000
Total energy: -217.033451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.033451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.033451 (E_RNA)
where:
Base-Base interactions energy: -126.446
where: short stacking energy: -83.810
Base-Backbone interact. energy: -0.108
local terms energy: -90.480246
where:
bonds (distance) C4'-P energy: -22.444
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -199.715082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.715082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.715082 (E_RNA)
where:
Base-Base interactions energy: -109.589
where: short stacking energy: -67.572
Base-Backbone interact. energy: -0.073
local terms energy: -90.052398
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -185.013471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.013471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.013471 (E_RNA)
where:
Base-Base interactions energy: -106.764
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.054
local terms energy: -78.194716
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -125.712635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.712635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.712635 (E_RNA)
where:
Base-Base interactions energy: -48.751
where: short stacking energy: -47.125
Base-Backbone interact. energy: 0.517
local terms energy: -77.478637
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -120.065374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.065374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.065374 (E_RNA)
where:
Base-Base interactions energy: -51.547
where: short stacking energy: -40.572
Base-Backbone interact. energy: 0.049
local terms energy: -68.567857
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -117.386425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.386425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.386425 (E_RNA)
where:
Base-Base interactions energy: -40.223
where: short stacking energy: -40.223
Base-Backbone interact. energy: -0.008
local terms energy: -77.155720
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -117.941894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.941894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.941894 (E_RNA)
where:
Base-Base interactions energy: -41.517
where: short stacking energy: -41.517
Base-Backbone interact. energy: -0.091
local terms energy: -76.333638
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -22.243
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -8.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -101.752658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.752658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.752658 (E_RNA)
where:
Base-Base interactions energy: -32.328
where: short stacking energy: -32.328
Base-Backbone interact. energy: 1.570
local terms energy: -70.994827
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -8.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -264.339283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.339283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.339283 (E_RNA)
where:
Base-Base interactions energy: -151.679
where: short stacking energy: -89.439
Base-Backbone interact. energy: -0.989
local terms energy: -111.671634
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -29.735
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: 2, replica: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -249.593303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.593303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.593303 (E_RNA)
where:
Base-Base interactions energy: -145.867
where: short stacking energy: -85.693
Base-Backbone interact. energy: -0.334
local terms energy: -103.391403
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -24.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -239.337654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.337654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.337654 (E_RNA)
where:
Base-Base interactions energy: -137.723
where: short stacking energy: -90.909
Base-Backbone interact. energy: -0.204
local terms energy: -101.409803
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -23.055
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -25.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -210.071557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.071557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.071557 (E_RNA)
where:
Base-Base interactions energy: -114.417
where: short stacking energy: -69.571
Base-Backbone interact. energy: 0.622
local terms energy: -96.276086
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -202.002333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.002333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.002333 (E_RNA)
where:
Base-Base interactions energy: -108.417
where: short stacking energy: -66.873
Base-Backbone interact. energy: -0.282
local terms energy: -93.303436
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -125.413583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.413583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.413583 (E_RNA)
where:
Base-Base interactions energy: -43.348
where: short stacking energy: -35.032
Base-Backbone interact. energy: -0.228
local terms energy: -81.837792
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -24.395
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -9.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -113.181593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.181593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.181593 (E_RNA)
where:
Base-Base interactions energy: -46.006
where: short stacking energy: -42.913
Base-Backbone interact. energy: -0.466
local terms energy: -66.709145
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -22.708
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: 0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -107.013366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.013366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.013366 (E_RNA)
where:
Base-Base interactions energy: -43.386
where: short stacking energy: -34.343
Base-Backbone interact. energy: -0.585
local terms energy: -63.042454
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -11.696
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: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -97.985255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.985255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.985255 (E_RNA)
where:
Base-Base interactions energy: -32.257
where: short stacking energy: -32.257
Base-Backbone interact. energy: -0.233
local terms energy: -65.495616
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -25.865
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: 3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -101.083719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.083719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.083719 (E_RNA)
where:
Base-Base interactions energy: -38.728
where: short stacking energy: -26.467
Base-Backbone interact. energy: 0.541
local terms energy: -62.897004
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: 0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -261.503341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.503341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.503341 (E_RNA)
where:
Base-Base interactions energy: -154.230
where: short stacking energy: -92.490
Base-Backbone interact. energy: -0.247
local terms energy: -107.026192
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -246.296468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.296468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.296468 (E_RNA)
where:
Base-Base interactions energy: -141.222
where: short stacking energy: -78.075
Base-Backbone interact. energy: -0.136
local terms energy: -104.938392
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -24.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -233.367298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.367298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.367298 (E_RNA)
where:
Base-Base interactions energy: -134.254
where: short stacking energy: -94.121
Base-Backbone interact. energy: 0.437
local terms energy: -99.550446
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -24.884
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -20.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -200.316013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.316013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.316013 (E_RNA)
where:
Base-Base interactions energy: -115.394
where: short stacking energy: -70.210
Base-Backbone interact. energy: -0.129
local terms energy: -84.793036
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -21.196
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: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -200.330584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.330584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.330584 (E_RNA)
where:
Base-Base interactions energy: -109.031
where: short stacking energy: -67.116
Base-Backbone interact. energy: -0.012
local terms energy: -91.287179
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -23.322
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: 424
Temperature: 1.150000
Total energy: -129.014671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.014671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.014671 (E_RNA)
where:
Base-Base interactions energy: -54.842
where: short stacking energy: -41.037
Base-Backbone interact. energy: -0.280
local terms energy: -73.892101
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -15.248
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: 7, replica: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -130.167957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.167957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.167957 (E_RNA)
where:
Base-Base interactions energy: -44.486
where: short stacking energy: -42.011
Base-Backbone interact. energy: -0.549
local terms energy: -85.132937
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -122.541172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.541172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.541172 (E_RNA)
where:
Base-Base interactions energy: -39.017
where: short stacking energy: -34.830
Base-Backbone interact. energy: 0.668
local terms energy: -84.192924
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -24.562
flat angles P-C4'-P energy: -9.370
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: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -104.309159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.309159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.309159 (E_RNA)
where:
Base-Base interactions energy: -36.896
where: short stacking energy: -36.896
Base-Backbone interact. energy: 0.334
local terms energy: -67.747075
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -106.109792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.109792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.109792 (E_RNA)
where:
Base-Base interactions energy: -33.153
where: short stacking energy: -31.835
Base-Backbone interact. energy: -0.043
local terms energy: -72.914107
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -24.044
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -241.835421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.835421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.835421 (E_RNA)
where:
Base-Base interactions energy: -144.922
where: short stacking energy: -86.431
Base-Backbone interact. energy: -0.090
local terms energy: -96.824107
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -15.308
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: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -226.573726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.573726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.573726 (E_RNA)
where:
Base-Base interactions energy: -130.172
where: short stacking energy: -75.104
Base-Backbone interact. energy: -0.232
local terms energy: -96.169095
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -23.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -236.001915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.001915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.001915 (E_RNA)
where:
Base-Base interactions energy: -139.756
where: short stacking energy: -72.539
Base-Backbone interact. energy: -0.397
local terms energy: -95.848131
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -20.600
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -202.287007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.287007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.287007 (E_RNA)
where:
Base-Base interactions energy: -107.145
where: short stacking energy: -66.694
Base-Backbone interact. energy: -0.067
local terms energy: -95.075481
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -24.706
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -13.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -195.914565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.914565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.914565 (E_RNA)
where:
Base-Base interactions energy: -111.985
where: short stacking energy: -72.212
Base-Backbone interact. energy: 0.538
local terms energy: -84.467624
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -17.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -125.783003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.783003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.783003 (E_RNA)
where:
Base-Base interactions energy: -47.080
where: short stacking energy: -40.102
Base-Backbone interact. energy: -0.248
local terms energy: -78.454692
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -12.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -128.450744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.450744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.450744 (E_RNA)
where:
Base-Base interactions energy: -48.563
where: short stacking energy: -44.393
Base-Backbone interact. energy: 1.146
local terms energy: -81.034286
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -9.451
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: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -112.487781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.487781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.487781 (E_RNA)
where:
Base-Base interactions energy: -30.528
where: short stacking energy: -29.209
Base-Backbone interact. energy: 1.452
local terms energy: -83.411705
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -124.772459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.772459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.772459 (E_RNA)
where:
Base-Base interactions energy: -46.103
where: short stacking energy: -44.593
Base-Backbone interact. energy: -0.285
local terms energy: -78.384581
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -21.531
flat angles C4'-P-C4' energy: -21.549
flat angles P-C4'-P energy: -15.706
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: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -104.529183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.529183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.529183 (E_RNA)
where:
Base-Base interactions energy: -32.128
where: short stacking energy: -32.128
Base-Backbone interact. energy: -0.231
local terms energy: -72.170157
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -254.578471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.578471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.578471 (E_RNA)
where:
Base-Base interactions energy: -156.741
where: short stacking energy: -92.884
Base-Backbone interact. energy: -0.098
local terms energy: -97.739651
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -10.824
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: 2, replica: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -237.423070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.423070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.423070 (E_RNA)
where:
Base-Base interactions energy: -133.216
where: short stacking energy: -89.012
Base-Backbone interact. energy: -0.016
local terms energy: -104.190920
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -27.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -205.524025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.524025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.524025 (E_RNA)
where:
Base-Base interactions energy: -108.904
where: short stacking energy: -72.622
Base-Backbone interact. energy: 0.565
local terms energy: -97.184993
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -237.105184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.105184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.105184 (E_RNA)
where:
Base-Base interactions energy: -136.952
where: short stacking energy: -78.628
Base-Backbone interact. energy: -0.159
local terms energy: -99.994580
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -22.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -199.326932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.326932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.326932 (E_RNA)
where:
Base-Base interactions energy: -98.259
where: short stacking energy: -63.991
Base-Backbone interact. energy: -0.044
local terms energy: -101.023341
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -112.415276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.415276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.415276 (E_RNA)
where:
Base-Base interactions energy: -40.637
where: short stacking energy: -31.334
Base-Backbone interact. energy: -0.304
local terms energy: -71.474286
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -21.737
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -118.419184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.419184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.419184 (E_RNA)
where:
Base-Base interactions energy: -46.340
where: short stacking energy: -46.256
Base-Backbone interact. energy: -0.287
local terms energy: -71.791673
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -113.322305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.322305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.322305 (E_RNA)
where:
Base-Base interactions energy: -44.612
where: short stacking energy: -44.612
Base-Backbone interact. energy: -0.181
local terms energy: -68.529163
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -122.473781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.473781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.473781 (E_RNA)
where:
Base-Base interactions energy: -49.958
where: short stacking energy: -49.958
Base-Backbone interact. energy: 2.342
local terms energy: -74.857943
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -15.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -100.030876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.030876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.030876 (E_RNA)
where:
Base-Base interactions energy: -36.284
where: short stacking energy: -36.784
Base-Backbone interact. energy: -1.213
local terms energy: -62.533533
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -1.241
tors. eta vs tors. theta energy: -4.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -268.851523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.851523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.851523 (E_RNA)
where:
Base-Base interactions energy: -160.339
where: short stacking energy: -94.994
Base-Backbone interact. energy: -0.169
local terms energy: -108.344319
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -26.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -245.008375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.008375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.008375 (E_RNA)
where:
Base-Base interactions energy: -141.882
where: short stacking energy: -95.769
Base-Backbone interact. energy: -0.015
local terms energy: -103.111270
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -24.961
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: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -217.438179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.438179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.438179 (E_RNA)
where:
Base-Base interactions energy: -118.316
where: short stacking energy: -80.289
Base-Backbone interact. energy: -0.862
local terms energy: -98.259939
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -22.941
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: 427
Temperature: 1.050000
Total energy: -207.553385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.553385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.553385 (E_RNA)
where:
Base-Base interactions energy: -119.417
where: short stacking energy: -76.711
Base-Backbone interact. energy: -0.166
local terms energy: -87.970142
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -22.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -231.282271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.282271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.282271 (E_RNA)
where:
Base-Base interactions energy: -124.883
where: short stacking energy: -79.643
Base-Backbone interact. energy: -0.153
local terms energy: -106.246184
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -27.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -127.034127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.034127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.034127 (E_RNA)
where:
Base-Base interactions energy: -54.043
where: short stacking energy: -32.070
Base-Backbone interact. energy: -0.333
local terms energy: -72.658129
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -111.788032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.788032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.788032 (E_RNA)
where:
Base-Base interactions energy: -32.667
where: short stacking energy: -32.667
Base-Backbone interact. energy: -0.180
local terms energy: -78.941301
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -10.027
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: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -117.901778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.901778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.901778 (E_RNA)
where:
Base-Base interactions energy: -42.339
where: short stacking energy: -42.339
Base-Backbone interact. energy: -0.260
local terms energy: -75.302796
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -7.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -111.312535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.312535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.312535 (E_RNA)
where:
Base-Base interactions energy: -46.952
where: short stacking energy: -46.952
Base-Backbone interact. energy: 0.120
local terms energy: -64.480413
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: -10.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -91.755626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.755626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.755626 (E_RNA)
where:
Base-Base interactions energy: -28.303
where: short stacking energy: -21.763
Base-Backbone interact. energy: -1.281
local terms energy: -62.171159
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: 4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -254.350118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.350118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.350118 (E_RNA)
where:
Base-Base interactions energy: -147.747
where: short stacking energy: -82.886
Base-Backbone interact. energy: -0.061
local terms energy: -106.541655
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -24.274
flat angles C4'-P-C4' energy: -24.652
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -22.831
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: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -245.376875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.376875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.376875 (E_RNA)
where:
Base-Base interactions energy: -137.563
where: short stacking energy: -91.067
Base-Backbone interact. energy: -0.034
local terms energy: -107.779624
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -25.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -216.791094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.791094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.791094 (E_RNA)
where:
Base-Base interactions energy: -117.744
where: short stacking energy: -75.266
Base-Backbone interact. energy: -0.011
local terms energy: -99.036468
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -22.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -204.912754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.912754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.912754 (E_RNA)
where:
Base-Base interactions energy: -110.536
where: short stacking energy: -70.512
Base-Backbone interact. energy: -0.053
local terms energy: -94.323725
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -17.102
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: 5, replica: 9
=====================================
Write number: 428
Temperature: 1.100000
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: -127.278
where: short stacking energy: -76.468
Base-Backbone interact. energy: -0.147
local terms energy: -91.145734
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -24.043
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: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -133.019983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.019983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.019983 (E_RNA)
where:
Base-Base interactions energy: -53.490
where: short stacking energy: -39.065
Base-Backbone interact. energy: -0.039
local terms energy: -79.491465
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -8.223
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: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -120.384773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.384773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.384773 (E_RNA)
where:
Base-Base interactions energy: -52.634
where: short stacking energy: -52.634
Base-Backbone interact. energy: -0.145
local terms energy: -67.605341
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -9.351
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: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -120.073996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.073996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.073996 (E_RNA)
where:
Base-Base interactions energy: -43.368
where: short stacking energy: -41.149
Base-Backbone interact. energy: 0.187
local terms energy: -76.892235
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -10.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -104.402341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.402341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.402341 (E_RNA)
where:
Base-Base interactions energy: -43.429
where: short stacking energy: -24.214
Base-Backbone interact. energy: -0.757
local terms energy: -60.217253
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: 4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -96.119272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.119272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.119272 (E_RNA)
where:
Base-Base interactions energy: -39.858
where: short stacking energy: -23.809
Base-Backbone interact. energy: 2.658
local terms energy: -58.919083
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: 0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -269.098092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.098092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.098092 (E_RNA)
where:
Base-Base interactions energy: -163.529
where: short stacking energy: -96.991
Base-Backbone interact. energy: -0.002
local terms energy: -105.567141
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -23.496
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -24.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -248.770319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.770319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.770319 (E_RNA)
where:
Base-Base interactions energy: -143.027
where: short stacking energy: -95.525
Base-Backbone interact. energy: -0.043
local terms energy: -105.701124
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -29.259
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: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -232.019091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.019091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.019091 (E_RNA)
where:
Base-Base interactions energy: -132.146
where: short stacking energy: -88.317
Base-Backbone interact. energy: -0.010
local terms energy: -99.863075
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -26.116
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: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -233.886901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.886901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.886901 (E_RNA)
where:
Base-Base interactions energy: -133.942
where: short stacking energy: -75.174
Base-Backbone interact. energy: -1.283
local terms energy: -98.661464
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -203.482267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.482267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.482267 (E_RNA)
where:
Base-Base interactions energy: -115.371
where: short stacking energy: -74.666
Base-Backbone interact. energy: -0.282
local terms energy: -87.828945
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -17.175
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: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -118.747850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.747850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.747850 (E_RNA)
where:
Base-Base interactions energy: -39.934
where: short stacking energy: -36.133
Base-Backbone interact. energy: -0.374
local terms energy: -78.439733
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -119.925797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.925797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.925797 (E_RNA)
where:
Base-Base interactions energy: -41.957
where: short stacking energy: -41.957
Base-Backbone interact. energy: -0.381
local terms energy: -77.587434
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -6.627
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: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -108.332186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.332186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.332186 (E_RNA)
where:
Base-Base interactions energy: -33.757
where: short stacking energy: -33.757
Base-Backbone interact. energy: -0.258
local terms energy: -74.316878
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -108.239232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.239232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.239232 (E_RNA)
where:
Base-Base interactions energy: -42.338
where: short stacking energy: -37.084
Base-Backbone interact. energy: -0.103
local terms energy: -65.798929
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -101.620827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.620827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.620827 (E_RNA)
where:
Base-Base interactions energy: -39.379
where: short stacking energy: -38.346
Base-Backbone interact. energy: 0.148
local terms energy: -62.389804
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -270.509190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.509190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.509190 (E_RNA)
where:
Base-Base interactions energy: -159.420
where: short stacking energy: -98.977
Base-Backbone interact. energy: -0.009
local terms energy: -111.079900
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -20.945
tors. eta vs tors. theta energy: -27.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -250.063129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.063129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.063129 (E_RNA)
where:
Base-Base interactions energy: -142.148
where: short stacking energy: -98.695
Base-Backbone interact. energy: 1.235
local terms energy: -109.150316
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -27.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -230.958547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.958547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.958547 (E_RNA)
where:
Base-Base interactions energy: -132.860
where: short stacking energy: -80.985
Base-Backbone interact. energy: -0.139
local terms energy: -97.959232
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -22.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -217.466500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.466500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.466500 (E_RNA)
where:
Base-Base interactions energy: -124.282
where: short stacking energy: -76.650
Base-Backbone interact. energy: -0.014
local terms energy: -93.169981
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -11.390
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: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -201.839049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.839049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.839049 (E_RNA)
where:
Base-Base interactions energy: -107.973
where: short stacking energy: -66.632
Base-Backbone interact. energy: -0.112
local terms energy: -93.754254
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -131.284342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.284342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.284342 (E_RNA)
where:
Base-Base interactions energy: -54.363
where: short stacking energy: -45.812
Base-Backbone interact. energy: -0.108
local terms energy: -76.813061
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -13.627
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: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -115.619844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.619844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.619844 (E_RNA)
where:
Base-Base interactions energy: -43.764
where: short stacking energy: -43.764
Base-Backbone interact. energy: -0.336
local terms energy: -71.519941
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -116.247769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.247769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.247769 (E_RNA)
where:
Base-Base interactions energy: -53.081
where: short stacking energy: -53.081
Base-Backbone interact. energy: -0.298
local terms energy: -62.869520
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -8.722
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: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -101.733994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.733994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.733994 (E_RNA)
where:
Base-Base interactions energy: -24.765
where: short stacking energy: -25.765
Base-Backbone interact. energy: -0.310
local terms energy: -76.658880
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -101.360497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.360497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.360497 (E_RNA)
where:
Base-Base interactions energy: -42.685
where: short stacking energy: -42.685
Base-Backbone interact. energy: -0.279
local terms energy: -58.396313
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -275.429224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.429224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.429224 (E_RNA)
where:
Base-Base interactions energy: -167.227
where: short stacking energy: -95.385
Base-Backbone interact. energy: -1.356
local terms energy: -106.846224
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -30.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -248.013247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.013247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.013247 (E_RNA)
where:
Base-Base interactions energy: -146.385
where: short stacking energy: -96.604
Base-Backbone interact. energy: -0.044
local terms energy: -101.583410
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -27.132
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: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -240.097069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.097069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.097069 (E_RNA)
where:
Base-Base interactions energy: -139.841
where: short stacking energy: -95.082
Base-Backbone interact. energy: -0.010
local terms energy: -100.246224
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -27.794
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: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -212.636388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.636388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.636388 (E_RNA)
where:
Base-Base interactions energy: -127.223
where: short stacking energy: -82.172
Base-Backbone interact. energy: -0.054
local terms energy: -85.359738
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -24.788
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -4.689
tors. eta vs tors. theta energy: -17.036
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: 431
Temperature: 1.100000
Total energy: -204.532939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.532939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.532939 (E_RNA)
where:
Base-Base interactions energy: -119.881
where: short stacking energy: -68.791
Base-Backbone interact. energy: -0.190
local terms energy: -84.462012
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -11.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -129.675509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.675509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.675509 (E_RNA)
where:
Base-Base interactions energy: -45.546
where: short stacking energy: -45.772
Base-Backbone interact. energy: 1.268
local terms energy: -85.397629
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -24.564
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -7.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -104.629345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.629345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.629345 (E_RNA)
where:
Base-Base interactions energy: -29.113
where: short stacking energy: -29.113
Base-Backbone interact. energy: -0.153
local terms energy: -75.363347
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -133.393902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.393902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.393902 (E_RNA)
where:
Base-Base interactions energy: -57.467
where: short stacking energy: -47.626
Base-Backbone interact. energy: -0.167
local terms energy: -75.759985
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -22.399
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -7.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -113.797899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.797899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.797899 (E_RNA)
where:
Base-Base interactions energy: -36.885
where: short stacking energy: -36.885
Base-Backbone interact. energy: -0.109
local terms energy: -76.803461
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -7.317
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: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -101.938706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.938706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.938706 (E_RNA)
where:
Base-Base interactions energy: -44.424
where: short stacking energy: -44.424
Base-Backbone interact. energy: 0.111
local terms energy: -57.624797
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -275.458396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.458396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.458396 (E_RNA)
where:
Base-Base interactions energy: -162.762
where: short stacking energy: -97.247
Base-Backbone interact. energy: -0.006
local terms energy: -112.690047
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -27.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -242.014003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.014003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.014003 (E_RNA)
where:
Base-Base interactions energy: -135.508
where: short stacking energy: -86.560
Base-Backbone interact. energy: -0.108
local terms energy: -106.397439
where:
bonds (distance) C4'-P energy: -24.031
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -24.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -253.744421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.744421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.744421 (E_RNA)
where:
Base-Base interactions energy: -144.598
where: short stacking energy: -88.685
Base-Backbone interact. energy: -0.015
local terms energy: -109.131353
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -29.816
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: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -211.735152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.735152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.735152 (E_RNA)
where:
Base-Base interactions energy: -114.440
where: short stacking energy: -70.892
Base-Backbone interact. energy: -0.863
local terms energy: -96.432077
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -177.962417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.962417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.962417 (E_RNA)
where:
Base-Base interactions energy: -92.881
where: short stacking energy: -42.877
Base-Backbone interact. energy: -0.094
local terms energy: -84.987300
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -7.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -125.294406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.294406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.294406 (E_RNA)
where:
Base-Base interactions energy: -49.841
where: short stacking energy: -36.810
Base-Backbone interact. energy: -0.125
local terms energy: -75.327931
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -110.668563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.668563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.668563 (E_RNA)
where:
Base-Base interactions energy: -35.917
where: short stacking energy: -33.049
Base-Backbone interact. energy: -0.257
local terms energy: -74.494187
where:
bonds (distance) C4'-P energy: -21.700
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -110.427129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.427129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.427129 (E_RNA)
where:
Base-Base interactions energy: -38.284
where: short stacking energy: -38.284
Base-Backbone interact. energy: 0.192
local terms energy: -72.335572
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -3.445
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: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -103.951446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.951446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.951446 (E_RNA)
where:
Base-Base interactions energy: -31.281
where: short stacking energy: -29.319
Base-Backbone interact. energy: -0.209
local terms energy: -72.461167
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: 1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -90.448831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.448831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.448831 (E_RNA)
where:
Base-Base interactions energy: -26.509
where: short stacking energy: -25.023
Base-Backbone interact. energy: 1.833
local terms energy: -65.772676
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -2.013
tors. eta vs tors. theta energy: -3.453
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: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -272.602186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.602186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.602186 (E_RNA)
where:
Base-Base interactions energy: -163.925
where: short stacking energy: -100.133
Base-Backbone interact. energy: -1.278
local terms energy: -107.398979
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -29.942
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: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -255.048367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.048367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.048367 (E_RNA)
where:
Base-Base interactions energy: -148.238
where: short stacking energy: -92.385
Base-Backbone interact. energy: -0.023
local terms energy: -106.788004
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -28.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -242.363321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.363321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.363321 (E_RNA)
where:
Base-Base interactions energy: -137.952
where: short stacking energy: -89.061
Base-Backbone interact. energy: -0.007
local terms energy: -104.404448
where:
bonds (distance) C4'-P energy: -22.861
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -26.158
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: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -218.244257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.244257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.244257 (E_RNA)
where:
Base-Base interactions energy: -117.856
where: short stacking energy: -82.901
Base-Backbone interact. energy: -0.005
local terms energy: -100.382882
where:
bonds (distance) C4'-P energy: -21.308
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -22.885
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: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -210.115923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.115923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.115923 (E_RNA)
where:
Base-Base interactions energy: -116.939
where: short stacking energy: -73.060
Base-Backbone interact. energy: -0.215
local terms energy: -92.962718
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -128.278841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.278841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.278841 (E_RNA)
where:
Base-Base interactions energy: -57.178
where: short stacking energy: -37.904
Base-Backbone interact. energy: -0.467
local terms energy: -70.633642
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -24.007
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -115.309474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.309474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.309474 (E_RNA)
where:
Base-Base interactions energy: -45.234
where: short stacking energy: -35.739
Base-Backbone interact. energy: -0.610
local terms energy: -69.465508
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -24.263
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -10.727
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: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -106.850359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.850359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.850359 (E_RNA)
where:
Base-Base interactions energy: -35.687
where: short stacking energy: -31.718
Base-Backbone interact. energy: -0.246
local terms energy: -70.917789
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -20.833
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -98.665003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.665003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.665003 (E_RNA)
where:
Base-Base interactions energy: -35.583
where: short stacking energy: -36.171
Base-Backbone interact. energy: -0.451
local terms energy: -62.631725
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: 1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -90.771778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.771778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.771778 (E_RNA)
where:
Base-Base interactions energy: -29.080
where: short stacking energy: -18.965
Base-Backbone interact. energy: 0.731
local terms energy: -62.422244
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -265.710476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.710476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.710476 (E_RNA)
where:
Base-Base interactions energy: -150.592
where: short stacking energy: -94.444
Base-Backbone interact. energy: -0.001
local terms energy: -115.117930
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -31.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -263.110472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.110472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.110472 (E_RNA)
where:
Base-Base interactions energy: -154.568
where: short stacking energy: -104.177
Base-Backbone interact. energy: -1.552
local terms energy: -106.990908
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -21.177
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -29.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -228.086533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.086533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.086533 (E_RNA)
where:
Base-Base interactions energy: -124.551
where: short stacking energy: -74.907
Base-Backbone interact. energy: -0.186
local terms energy: -103.349299
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -24.762
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -28.342
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: 4, replica: 6
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -223.742467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.742467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.742467 (E_RNA)
where:
Base-Base interactions energy: -124.609
where: short stacking energy: -83.072
Base-Backbone interact. energy: 1.350
local terms energy: -100.483149
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -24.196
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: 434
Temperature: 1.100000
Total energy: -142.385759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.385759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.385759 (E_RNA)
where:
Base-Base interactions energy: -57.280
where: short stacking energy: -52.078
Base-Backbone interact. energy: -0.088
local terms energy: -85.018103
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -20.033
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -11.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -173.828552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.828552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.828552 (E_RNA)
where:
Base-Base interactions energy: -89.420
where: short stacking energy: -52.229
Base-Backbone interact. energy: -0.395
local terms energy: -84.013899
where:
bonds (distance) C4'-P energy: -21.809
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -12.822
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: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -119.766151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.766151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.766151 (E_RNA)
where:
Base-Base interactions energy: -49.139
where: short stacking energy: -31.149
Base-Backbone interact. energy: -0.403
local terms energy: -70.224347
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: 3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -120.412716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.412716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.412716 (E_RNA)
where:
Base-Base interactions energy: -52.264
where: short stacking energy: -47.940
Base-Backbone interact. energy: -0.490
local terms energy: -67.658874
where:
bonds (distance) C4'-P energy: -6.431
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -10.290
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: 434
Temperature: 1.300000
Total energy: -101.652384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.652384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.652384 (E_RNA)
where:
Base-Base interactions energy: -38.432
where: short stacking energy: -36.910
Base-Backbone interact. energy: 0.051
local terms energy: -63.271744
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -2.883
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -106.594156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.594156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.594156 (E_RNA)
where:
Base-Base interactions energy: -47.727
where: short stacking energy: -18.102
Base-Backbone interact. energy: -0.588
local terms energy: -58.279387
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: 3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -260.514747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.514747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.514747 (E_RNA)
where:
Base-Base interactions energy: -147.727
where: short stacking energy: -88.813
Base-Backbone interact. energy: -0.006
local terms energy: -112.781320
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -22.218
flat angles C4'-P-C4' energy: -22.357
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -30.858
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: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -261.917967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.917967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.917967 (E_RNA)
where:
Base-Base interactions energy: -155.046
where: short stacking energy: -90.037
Base-Backbone interact. energy: -0.621
local terms energy: -106.251119
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -30.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -209.936728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.936728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.936728 (E_RNA)
where:
Base-Base interactions energy: -113.752
where: short stacking energy: -73.265
Base-Backbone interact. energy: 1.923
local terms energy: -98.108048
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -224.097154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.097154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.097154 (E_RNA)
where:
Base-Base interactions energy: -132.112
where: short stacking energy: -85.049
Base-Backbone interact. energy: -0.006
local terms energy: -91.978537
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -20.351
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: 5, replica: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -139.998325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.998325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.998325 (E_RNA)
where:
Base-Base interactions energy: -56.606
where: short stacking energy: -56.606
Base-Backbone interact. energy: -0.001
local terms energy: -83.391609
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -10.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -193.019671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.019671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.019671 (E_RNA)
where:
Base-Base interactions energy: -103.228
where: short stacking energy: -69.530
Base-Backbone interact. energy: -0.043
local terms energy: -89.748690
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -21.971
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -16.052
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: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -151.388904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.388904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.388904 (E_RNA)
where:
Base-Base interactions energy: -71.125
where: short stacking energy: -45.248
Base-Backbone interact. energy: -0.260
local terms energy: -80.004055
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -11.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -113.985648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.985648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.985648 (E_RNA)
where:
Base-Base interactions energy: -47.279
where: short stacking energy: -42.284
Base-Backbone interact. energy: -0.311
local terms energy: -66.395641
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -98.895738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.895738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.895738 (E_RNA)
where:
Base-Base interactions energy: -34.203
where: short stacking energy: -34.203
Base-Backbone interact. energy: 0.756
local terms energy: -65.448640
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -2.916
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: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -99.024572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.024572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.024572 (E_RNA)
where:
Base-Base interactions energy: -32.457
where: short stacking energy: -32.457
Base-Backbone interact. energy: -0.204
local terms energy: -66.364248
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -271.273020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.273020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.273020 (E_RNA)
where:
Base-Base interactions energy: -158.539
where: short stacking energy: -104.168
Base-Backbone interact. energy: -1.476
local terms energy: -111.257790
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -27.892
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: 436
Temperature: 0.950000
Total energy: -246.092524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.092524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.092524 (E_RNA)
where:
Base-Base interactions energy: -142.022
where: short stacking energy: -86.347
Base-Backbone interact. energy: -0.001
local terms energy: -104.069509
where:
bonds (distance) C4'-P energy: -23.174
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -21.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -214.394821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.394821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.394821 (E_RNA)
where:
Base-Base interactions energy: -119.637
where: short stacking energy: -62.033
Base-Backbone interact. energy: -0.102
local terms energy: -94.655755
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -214.786997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.786997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.786997 (E_RNA)
where:
Base-Base interactions energy: -118.404
where: short stacking energy: -78.765
Base-Backbone interact. energy: -0.053
local terms energy: -96.329649
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -25.545
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -192.351634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.351634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.351634 (E_RNA)
where:
Base-Base interactions energy: -109.995
where: short stacking energy: -65.355
Base-Backbone interact. energy: -0.443
local terms energy: -81.914441
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -13.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -119.996906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.996906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.996906 (E_RNA)
where:
Base-Base interactions energy: -36.580
where: short stacking energy: -36.580
Base-Backbone interact. energy: -0.360
local terms energy: -83.056817
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -139.694886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.694886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.694886 (E_RNA)
where:
Base-Base interactions energy: -64.608
where: short stacking energy: -51.286
Base-Backbone interact. energy: -0.274
local terms energy: -74.812411
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -111.712411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.712411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.712411 (E_RNA)
where:
Base-Base interactions energy: -36.108
where: short stacking energy: -36.108
Base-Backbone interact. energy: -0.284
local terms energy: -75.320917
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -103.411444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.411444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.411444 (E_RNA)
where:
Base-Base interactions energy: -33.483
where: short stacking energy: -32.812
Base-Backbone interact. energy: 0.753
local terms energy: -70.680854
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -99.294583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.294583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.294583 (E_RNA)
where:
Base-Base interactions energy: -28.337
where: short stacking energy: -28.337
Base-Backbone interact. energy: -0.210
local terms energy: -70.747192
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -21.473
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -263.890298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.890298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.890298 (E_RNA)
where:
Base-Base interactions energy: -159.552
where: short stacking energy: -96.756
Base-Backbone interact. energy: -0.009
local terms energy: -104.329549
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -25.491
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -16.229
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: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -238.921626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.921626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.921626 (E_RNA)
where:
Base-Base interactions energy: -141.713
where: short stacking energy: -76.353
Base-Backbone interact. energy: -0.162
local terms energy: -97.046066
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -19.844
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: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -255.179525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.179525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.179525 (E_RNA)
where:
Base-Base interactions energy: -154.743
where: short stacking energy: -87.352
Base-Backbone interact. energy: -0.093
local terms energy: -100.344113
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -13.148
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: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -206.902420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.902420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.902420 (E_RNA)
where:
Base-Base interactions energy: -117.852
where: short stacking energy: -65.178
Base-Backbone interact. energy: -0.076
local terms energy: -88.973861
where:
bonds (distance) C4'-P energy: -24.628
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -199.038424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.038424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.038424 (E_RNA)
where:
Base-Base interactions energy: -110.204
where: short stacking energy: -71.014
Base-Backbone interact. energy: -0.404
local terms energy: -88.431118
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -157.931315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.931315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.931315 (E_RNA)
where:
Base-Base interactions energy: -67.903
where: short stacking energy: -46.713
Base-Backbone interact. energy: -0.082
local terms energy: -89.946497
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -21.040
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -127.730901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.730901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.730901 (E_RNA)
where:
Base-Base interactions energy: -50.186
where: short stacking energy: -41.231
Base-Backbone interact. energy: -0.194
local terms energy: -77.350927
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -6.456
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: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -107.143560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.143560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.143560 (E_RNA)
where:
Base-Base interactions energy: -40.459
where: short stacking energy: -23.349
Base-Backbone interact. energy: -0.105
local terms energy: -66.579666
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -21.513
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: 1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -110.494438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.494438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.494438 (E_RNA)
where:
Base-Base interactions energy: -43.586
where: short stacking energy: -43.586
Base-Backbone interact. energy: -0.961
local terms energy: -65.947342
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -91.257386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.257386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.257386 (E_RNA)
where:
Base-Base interactions energy: -25.041
where: short stacking energy: -21.580
Base-Backbone interact. energy: -0.124
local terms energy: -66.092601
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -15.213
tors. eta vs tors. theta energy: 1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -245.848513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.848513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.848513 (E_RNA)
where:
Base-Base interactions energy: -132.394
where: short stacking energy: -91.043
Base-Backbone interact. energy: -0.107
local terms energy: -113.347818
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -24.065
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -27.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -230.112553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.112553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.112553 (E_RNA)
where:
Base-Base interactions energy: -127.665
where: short stacking energy: -81.430
Base-Backbone interact. energy: -0.043
local terms energy: -102.404454
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -25.444
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -22.221
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: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -240.546081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.546081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.546081 (E_RNA)
where:
Base-Base interactions energy: -152.903
where: short stacking energy: -88.666
Base-Backbone interact. energy: -0.011
local terms energy: -87.632082
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -21.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -201.102900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.102900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.102900 (E_RNA)
where:
Base-Base interactions energy: -109.775
where: short stacking energy: -68.366
Base-Backbone interact. energy: -0.054
local terms energy: -91.274058
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -186.367071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.367071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.367071 (E_RNA)
where:
Base-Base interactions energy: -102.290
where: short stacking energy: -57.683
Base-Backbone interact. energy: -0.042
local terms energy: -84.034814
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -23.139
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -10.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -126.530888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.530888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.530888 (E_RNA)
where:
Base-Base interactions energy: -46.003
where: short stacking energy: -46.003
Base-Backbone interact. energy: -0.077
local terms energy: -80.450974
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -10.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -144.908693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.908693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.908693 (E_RNA)
where:
Base-Base interactions energy: -66.774
where: short stacking energy: -56.440
Base-Backbone interact. energy: -0.074
local terms energy: -78.061159
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -129.008374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.008374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.008374 (E_RNA)
where:
Base-Base interactions energy: -59.472
where: short stacking energy: -43.593
Base-Backbone interact. energy: 0.356
local terms energy: -69.891744
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -104.162492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.162492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.162492 (E_RNA)
where:
Base-Base interactions energy: -42.114
where: short stacking energy: -33.767
Base-Backbone interact. energy: -0.144
local terms energy: -61.904747
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -21.152
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -96.156627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.156627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.156627 (E_RNA)
where:
Base-Base interactions energy: -32.861
where: short stacking energy: -32.861
Base-Backbone interact. energy: 1.385
local terms energy: -64.680481
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -257.490768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.490768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.490768 (E_RNA)
where:
Base-Base interactions energy: -156.967
where: short stacking energy: -88.962
Base-Backbone interact. energy: -0.181
local terms energy: -100.342873
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -22.972
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -24.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -243.466417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.466417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.466417 (E_RNA)
where:
Base-Base interactions energy: -140.212
where: short stacking energy: -86.842
Base-Backbone interact. energy: 0.341
local terms energy: -103.595244
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -24.047
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -21.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -198.975861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.975861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.975861 (E_RNA)
where:
Base-Base interactions energy: -103.020
where: short stacking energy: -63.702
Base-Backbone interact. energy: -0.101
local terms energy: -95.854842
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -202.316484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.316484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.316484 (E_RNA)
where:
Base-Base interactions energy: -117.291
where: short stacking energy: -81.887
Base-Backbone interact. energy: -0.018
local terms energy: -85.007608
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -6.699
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: 439
Temperature: 1.100000
Total energy: -191.518283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.518283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.518283 (E_RNA)
where:
Base-Base interactions energy: -100.995
where: short stacking energy: -64.273
Base-Backbone interact. energy: -0.381
local terms energy: -90.142308
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -20.497
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -125.135115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.135115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.135115 (E_RNA)
where:
Base-Base interactions energy: -45.546
where: short stacking energy: -45.546
Base-Backbone interact. energy: -0.140
local terms energy: -79.449527
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -9.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -122.871252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.871252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.871252 (E_RNA)
where:
Base-Base interactions energy: -47.045
where: short stacking energy: -28.849
Base-Backbone interact. energy: -0.171
local terms energy: -75.655337
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -20.658
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -118.695365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.695365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.695365 (E_RNA)
where:
Base-Base interactions energy: -44.358
where: short stacking energy: -44.358
Base-Backbone interact. energy: 0.833
local terms energy: -75.170554
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -109.740593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.740593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.740593 (E_RNA)
where:
Base-Base interactions energy: -47.516
where: short stacking energy: -42.329
Base-Backbone interact. energy: -0.144
local terms energy: -62.081051
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -89.080671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.080671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.080671 (E_RNA)
where:
Base-Base interactions energy: -24.083
where: short stacking energy: -25.083
Base-Backbone interact. energy: -0.223
local terms energy: -64.774304
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: 0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -269.963665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.963665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.963665 (E_RNA)
where:
Base-Base interactions energy: -156.710
where: short stacking energy: -97.568
Base-Backbone interact. energy: -0.026
local terms energy: -113.227498
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -30.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -239.169080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.169080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.169080 (E_RNA)
where:
Base-Base interactions energy: -136.701
where: short stacking energy: -88.357
Base-Backbone interact. energy: -0.016
local terms energy: -102.452570
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -22.208
flat angles C4'-P-C4' energy: -22.952
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: -25.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -205.798177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.798177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.798177 (E_RNA)
where:
Base-Base interactions energy: -110.646
where: short stacking energy: -72.406
Base-Backbone interact. energy: 0.045
local terms energy: -95.197487
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -20.560
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: 440
Temperature: 1.050000
Total energy: -203.122392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.122392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.122392 (E_RNA)
where:
Base-Base interactions energy: -113.224
where: short stacking energy: -74.029
Base-Backbone interact. energy: -0.001
local terms energy: -89.897083
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -15.874
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -206.392964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.392964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.392964 (E_RNA)
where:
Base-Base interactions energy: -111.659
where: short stacking energy: -66.832
Base-Backbone interact. energy: 0.845
local terms energy: -95.579572
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -142.038327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.038327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.038327 (E_RNA)
where:
Base-Base interactions energy: -69.033
where: short stacking energy: -39.155
Base-Backbone interact. energy: -0.193
local terms energy: -72.813127
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -9.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -179.208479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.208479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.208479 (E_RNA)
where:
Base-Base interactions energy: -100.871
where: short stacking energy: -52.253
Base-Backbone interact. energy: -0.152
local terms energy: -78.185863
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -13.661
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: 5
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -105.389239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.389239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.389239 (E_RNA)
where:
Base-Base interactions energy: -39.752
where: short stacking energy: -37.840
Base-Backbone interact. energy: -0.124
local terms energy: -65.512797
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -5.737
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: 440
Temperature: 1.300000
Total energy: -99.313150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.313150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.313150 (E_RNA)
where:
Base-Base interactions energy: -25.579
where: short stacking energy: -25.579
Base-Backbone interact. energy: -0.132
local terms energy: -73.602574
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -91.857072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.857072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.857072 (E_RNA)
where:
Base-Base interactions energy: -32.968
where: short stacking energy: -32.968
Base-Backbone interact. energy: 0.161
local terms energy: -59.050242
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -10.730
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: 1, replica: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -267.880741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.880741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.880741 (E_RNA)
where:
Base-Base interactions energy: -158.205
where: short stacking energy: -98.523
Base-Backbone interact. energy: -0.027
local terms energy: -109.648550
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -29.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -253.346158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.346158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.346158 (E_RNA)
where:
Base-Base interactions energy: -150.507
where: short stacking energy: -82.967
Base-Backbone interact. energy: -0.095
local terms energy: -102.744558
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -18.720
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: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -214.298334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.298334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.298334 (E_RNA)
where:
Base-Base interactions energy: -118.405
where: short stacking energy: -73.806
Base-Backbone interact. energy: -0.012
local terms energy: -95.881871
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -205.445757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.445757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.445757 (E_RNA)
where:
Base-Base interactions energy: -110.889
where: short stacking energy: -63.218
Base-Backbone interact. energy: -0.148
local terms energy: -94.408939
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -203.404486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.404486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.404486 (E_RNA)
where:
Base-Base interactions energy: -115.555
where: short stacking energy: -67.152
Base-Backbone interact. energy: -0.167
local terms energy: -87.681939
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -179.391633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.391633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.391633 (E_RNA)
where:
Base-Base interactions energy: -108.548
where: short stacking energy: -61.959
Base-Backbone interact. energy: -1.197
local terms energy: -69.647336
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -119.127044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.127044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.127044 (E_RNA)
where:
Base-Base interactions energy: -46.137
where: short stacking energy: -40.969
Base-Backbone interact. energy: 0.508
local terms energy: -73.498400
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -9.025
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: 5
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -100.784324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.784324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.784324 (E_RNA)
where:
Base-Base interactions energy: -39.858
where: short stacking energy: -30.057
Base-Backbone interact. energy: -0.111
local terms energy: -60.815560
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -4.164
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -103.622925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.622925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.622925 (E_RNA)
where:
Base-Base interactions energy: -36.913
where: short stacking energy: -35.998
Base-Backbone interact. energy: -0.010
local terms energy: -66.699304
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -97.448163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.448163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.448163 (E_RNA)
where:
Base-Base interactions energy: -39.038
where: short stacking energy: -24.804
Base-Backbone interact. energy: -0.588
local terms energy: -57.821774
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -256.913833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.913833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.913833 (E_RNA)
where:
Base-Base interactions energy: -149.815
where: short stacking energy: -91.705
Base-Backbone interact. energy: 0.218
local terms energy: -107.317687
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -26.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -235.034948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.034948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.034948 (E_RNA)
where:
Base-Base interactions energy: -135.742
where: short stacking energy: -82.499
Base-Backbone interact. energy: -0.057
local terms energy: -99.236664
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -24.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -206.740930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.740930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.740930 (E_RNA)
where:
Base-Base interactions energy: -128.137
where: short stacking energy: -82.198
Base-Backbone interact. energy: -0.191
local terms energy: -78.413763
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -12.001
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: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -207.520267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.520267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.520267 (E_RNA)
where:
Base-Base interactions energy: -115.321
where: short stacking energy: -77.325
Base-Backbone interact. energy: -0.070
local terms energy: -92.128879
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -20.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -191.316976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.316976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.316976 (E_RNA)
where:
Base-Base interactions energy: -108.470
where: short stacking energy: -67.847
Base-Backbone interact. energy: -0.058
local terms energy: -82.789082
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -205.873290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.873290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.873290 (E_RNA)
where:
Base-Base interactions energy: -108.252
where: short stacking energy: -65.196
Base-Backbone interact. energy: 0.248
local terms energy: -97.869386
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -133.475552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.475552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.475552 (E_RNA)
where:
Base-Base interactions energy: -52.316
where: short stacking energy: -45.359
Base-Backbone interact. energy: -0.178
local terms energy: -80.981438
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -112.323720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.323720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.323720 (E_RNA)
where:
Base-Base interactions energy: -48.551
where: short stacking energy: -48.551
Base-Backbone interact. energy: 1.652
local terms energy: -65.424642
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -107.388484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.388484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.388484 (E_RNA)
where:
Base-Base interactions energy: -31.674
where: short stacking energy: -31.674
Base-Backbone interact. energy: -0.297
local terms energy: -75.417229
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: 0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -90.527545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.527545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.527545 (E_RNA)
where:
Base-Base interactions energy: -31.046
where: short stacking energy: -24.322
Base-Backbone interact. energy: -0.658
local terms energy: -58.823945
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: 0.051
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: 1, replica: 9
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -265.095947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.095947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.095947 (E_RNA)
where:
Base-Base interactions energy: -159.102
where: short stacking energy: -92.383
Base-Backbone interact. energy: 0.103
local terms energy: -106.096509
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -15.108
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: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -246.689015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.689015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.689015 (E_RNA)
where:
Base-Base interactions energy: -147.793
where: short stacking energy: -85.834
Base-Backbone interact. energy: 0.493
local terms energy: -99.389289
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -25.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -204.627582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.627582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.627582 (E_RNA)
where:
Base-Base interactions energy: -108.610
where: short stacking energy: -64.423
Base-Backbone interact. energy: -0.017
local terms energy: -95.999780
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -227.350828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.350828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.350828 (E_RNA)
where:
Base-Base interactions energy: -135.970
where: short stacking energy: -82.495
Base-Backbone interact. energy: -0.032
local terms energy: -91.349068
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -23.079
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: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -195.507359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.507359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.507359 (E_RNA)
where:
Base-Base interactions energy: -110.237
where: short stacking energy: -70.431
Base-Backbone interact. energy: -0.105
local terms energy: -85.165611
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -15.617
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: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -116.493079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.493079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.493079 (E_RNA)
where:
Base-Base interactions energy: -43.112
where: short stacking energy: -39.681
Base-Backbone interact. energy: -0.283
local terms energy: -73.097965
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -8.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -176.117642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.117642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.117642 (E_RNA)
where:
Base-Base interactions energy: -99.384
where: short stacking energy: -63.765
Base-Backbone interact. energy: -0.099
local terms energy: -76.634461
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -15.546
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: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -112.544211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.544211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.544211 (E_RNA)
where:
Base-Base interactions energy: -45.968
where: short stacking energy: -45.968
Base-Backbone interact. energy: -0.134
local terms energy: -66.442440
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -9.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -109.410259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.410259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.410259 (E_RNA)
where:
Base-Base interactions energy: -33.494
where: short stacking energy: -33.494
Base-Backbone interact. energy: -0.112
local terms energy: -75.804032
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -101.603430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.603430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.603430 (E_RNA)
where:
Base-Base interactions energy: -45.061
where: short stacking energy: -41.724
Base-Backbone interact. energy: -0.062
local terms energy: -56.479812
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -258.444647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.444647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.444647 (E_RNA)
where:
Base-Base interactions energy: -153.803
where: short stacking energy: -86.787
Base-Backbone interact. energy: -0.065
local terms energy: -104.575761
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -26.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -247.219060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.219060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.219060 (E_RNA)
where:
Base-Base interactions energy: -141.134
where: short stacking energy: -84.921
Base-Backbone interact. energy: -0.084
local terms energy: -106.001458
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -20.561
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -26.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -220.740280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.740280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.740280 (E_RNA)
where:
Base-Base interactions energy: -127.621
where: short stacking energy: -76.244
Base-Backbone interact. energy: -0.048
local terms energy: -93.071570
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -214.134845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.134845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.134845 (E_RNA)
where:
Base-Base interactions energy: -118.855
where: short stacking energy: -70.120
Base-Backbone interact. energy: -0.358
local terms energy: -94.921767
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -210.341106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.341106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.341106 (E_RNA)
where:
Base-Base interactions energy: -119.693
where: short stacking energy: -78.907
Base-Backbone interact. energy: -0.157
local terms energy: -90.492016
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -19.265
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: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -132.621999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.621999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.621999 (E_RNA)
where:
Base-Base interactions energy: -61.963
where: short stacking energy: -57.117
Base-Backbone interact. energy: 0.155
local terms energy: -70.814119
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -11.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -123.251419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.251419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.251419 (E_RNA)
where:
Base-Base interactions energy: -47.144
where: short stacking energy: -35.084
Base-Backbone interact. energy: 0.011
local terms energy: -76.118562
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -13.329
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: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -163.755084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.755084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.755084 (E_RNA)
where:
Base-Base interactions energy: -85.961
where: short stacking energy: -47.383
Base-Backbone interact. energy: -0.460
local terms energy: -77.334484
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -9.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -108.701528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.701528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.701528 (E_RNA)
where:
Base-Base interactions energy: -37.192
where: short stacking energy: -35.542
Base-Backbone interact. energy: 0.109
local terms energy: -71.618420
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -114.096917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.096917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.096917 (E_RNA)
where:
Base-Base interactions energy: -42.940
where: short stacking energy: -40.849
Base-Backbone interact. energy: -0.347
local terms energy: -70.809624
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -9.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -266.032173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.032173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.032173 (E_RNA)
where:
Base-Base interactions energy: -155.792
where: short stacking energy: -92.373
Base-Backbone interact. energy: -0.086
local terms energy: -110.153881
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -16.752
tors. eta vs tors. theta energy: -24.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -233.883708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.883708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.883708 (E_RNA)
where:
Base-Base interactions energy: -139.245
where: short stacking energy: -76.984
Base-Backbone interact. energy: -0.195
local terms energy: -94.443425
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -25.093
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -20.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -203.549228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.549228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.549228 (E_RNA)
where:
Base-Base interactions energy: -111.956
where: short stacking energy: -70.138
Base-Backbone interact. energy: -0.227
local terms energy: -91.366701
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -18.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -217.697104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.697104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.697104 (E_RNA)
where:
Base-Base interactions energy: -122.290
where: short stacking energy: -77.269
Base-Backbone interact. energy: -0.416
local terms energy: -94.991590
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -21.433
flat angles P-C4'-P energy: -14.236
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: 445
Temperature: 1.100000
Total energy: -212.802297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.802297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.802297 (E_RNA)
where:
Base-Base interactions energy: -119.611
where: short stacking energy: -68.383
Base-Backbone interact. energy: 0.917
local terms energy: -94.108411
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -14.904
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: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -142.504769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.504769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.504769 (E_RNA)
where:
Base-Base interactions energy: -59.926
where: short stacking energy: -54.369
Base-Backbone interact. energy: -0.324
local terms energy: -82.254773
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -118.659009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.659009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.659009 (E_RNA)
where:
Base-Base interactions energy: -45.158
where: short stacking energy: -38.559
Base-Backbone interact. energy: -0.234
local terms energy: -73.267894
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -6.545
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: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -119.391544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.391544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.391544 (E_RNA)
where:
Base-Base interactions energy: -43.628
where: short stacking energy: -29.052
Base-Backbone interact. energy: -0.186
local terms energy: -75.577114
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -4.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -101.660008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.660008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.660008 (E_RNA)
where:
Base-Base interactions energy: -26.093
where: short stacking energy: -24.920
Base-Backbone interact. energy: -0.125
local terms energy: -75.441942
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -11.473
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: 4
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -100.511962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.511962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.511962 (E_RNA)
where:
Base-Base interactions energy: -40.734
where: short stacking energy: -40.033
Base-Backbone interact. energy: -0.008
local terms energy: -59.770302
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -256.643057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.643057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.643057 (E_RNA)
where:
Base-Base interactions energy: -147.230
where: short stacking energy: -89.250
Base-Backbone interact. energy: -0.026
local terms energy: -109.387646
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -17.656
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: 9
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -253.891015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.891015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.891015 (E_RNA)
where:
Base-Base interactions energy: -151.192
where: short stacking energy: -84.762
Base-Backbone interact. energy: -0.038
local terms energy: -102.661871
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -27.766
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: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -226.806600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.806600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.806600 (E_RNA)
where:
Base-Base interactions energy: -129.943
where: short stacking energy: -74.074
Base-Backbone interact. energy: -0.159
local terms energy: -96.704419
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -25.759
flat angles C4'-P-C4' energy: -20.530
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -20.305
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: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -203.126745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.126745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.126745 (E_RNA)
where:
Base-Base interactions energy: -112.972
where: short stacking energy: -59.183
Base-Backbone interact. energy: 0.494
local terms energy: -90.648596
where:
bonds (distance) C4'-P energy: -24.416
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -21.005
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -13.511
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: 446
Temperature: 1.100000
Total energy: -212.343963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.343963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.343963 (E_RNA)
where:
Base-Base interactions energy: -119.726
where: short stacking energy: -85.749
Base-Backbone interact. energy: -0.010
local terms energy: -92.607580
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -24.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -129.097586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.097586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.097586 (E_RNA)
where:
Base-Base interactions energy: -50.634
where: short stacking energy: -50.634
Base-Backbone interact. energy: -0.317
local terms energy: -78.147141
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -12.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -111.685284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.685284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.685284 (E_RNA)
where:
Base-Base interactions energy: -40.598
where: short stacking energy: -40.194
Base-Backbone interact. energy: -0.175
local terms energy: -70.912610
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -109.215341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.215341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.215341 (E_RNA)
where:
Base-Base interactions energy: -44.807
where: short stacking energy: -43.231
Base-Backbone interact. energy: -0.042
local terms energy: -64.366831
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -98.953523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.953523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.953523 (E_RNA)
where:
Base-Base interactions energy: -33.611
where: short stacking energy: -33.584
Base-Backbone interact. energy: -0.127
local terms energy: -65.215525
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -7.578
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: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -96.337336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.337336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.337336 (E_RNA)
where:
Base-Base interactions energy: -36.962
where: short stacking energy: -36.962
Base-Backbone interact. energy: -0.141
local terms energy: -59.234933
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -6.367
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -8.879
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: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -261.062740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.062740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.062740 (E_RNA)
where:
Base-Base interactions energy: -151.652
where: short stacking energy: -85.939
Base-Backbone interact. energy: -0.122
local terms energy: -109.288963
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -22.858
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -29.334
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: 2, replica: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -262.118359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.118359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.118359 (E_RNA)
where:
Base-Base interactions energy: -160.104
where: short stacking energy: -94.606
Base-Backbone interact. energy: -0.337
local terms energy: -101.676840
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -27.649
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: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -234.997801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.997801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.997801 (E_RNA)
where:
Base-Base interactions energy: -138.095
where: short stacking energy: -84.696
Base-Backbone interact. energy: -0.080
local terms energy: -96.823061
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -22.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -226.848427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.848427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.848427 (E_RNA)
where:
Base-Base interactions energy: -124.226
where: short stacking energy: -78.697
Base-Backbone interact. energy: -0.113
local terms energy: -102.510014
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -24.670
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: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -191.317444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.317444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.317444 (E_RNA)
where:
Base-Base interactions energy: -108.747
where: short stacking energy: -59.524
Base-Backbone interact. energy: 1.321
local terms energy: -83.892029
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -11.494
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: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -125.640497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.640497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.640497 (E_RNA)
where:
Base-Base interactions energy: -52.808
where: short stacking energy: -51.773
Base-Backbone interact. energy: -0.184
local terms energy: -72.647806
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -6.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -119.246400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.246400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.246400 (E_RNA)
where:
Base-Base interactions energy: -44.725
where: short stacking energy: -37.124
Base-Backbone interact. energy: -0.288
local terms energy: -74.233430
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -95.886613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.886613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.886613 (E_RNA)
where:
Base-Base interactions energy: -24.578
where: short stacking energy: -24.552
Base-Backbone interact. energy: 1.291
local terms energy: -72.599474
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -90.999664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.999664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.999664 (E_RNA)
where:
Base-Base interactions energy: -31.516
where: short stacking energy: -27.165
Base-Backbone interact. energy: -0.575
local terms energy: -58.908701
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: 0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -103.195185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.195185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.195185 (E_RNA)
where:
Base-Base interactions energy: -32.003
where: short stacking energy: -32.003
Base-Backbone interact. energy: -0.186
local terms energy: -71.006321
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: 0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -265.336619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.336619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.336619 (E_RNA)
where:
Base-Base interactions energy: -157.284
where: short stacking energy: -94.861
Base-Backbone interact. energy: -0.084
local terms energy: -107.968526
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -25.570
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -29.463
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: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -254.527219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.527219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.527219 (E_RNA)
where:
Base-Base interactions energy: -151.368
where: short stacking energy: -89.230
Base-Backbone interact. energy: -0.180
local terms energy: -102.979322
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -26.506
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: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -228.464920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.464920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.464920 (E_RNA)
where:
Base-Base interactions energy: -127.503
where: short stacking energy: -76.759
Base-Backbone interact. energy: -0.015
local terms energy: -100.946908
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -24.911
flat angles P-C4'-P energy: -12.894
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: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -220.647224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.647224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.647224 (E_RNA)
where:
Base-Base interactions energy: -119.247
where: short stacking energy: -72.042
Base-Backbone interact. energy: -0.238
local terms energy: -101.162024
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -181.840446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.840446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.840446 (E_RNA)
where:
Base-Base interactions energy: -102.748
where: short stacking energy: -67.094
Base-Backbone interact. energy: 1.215
local terms energy: -80.307236
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -132.782377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.782377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.782377 (E_RNA)
where:
Base-Base interactions energy: -50.766
where: short stacking energy: -50.766
Base-Backbone interact. energy: -0.206
local terms energy: -81.810931
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -17.079
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: 7
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -120.837543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.837543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.837543 (E_RNA)
where:
Base-Base interactions energy: -40.197
where: short stacking energy: -40.197
Base-Backbone interact. energy: -0.886
local terms energy: -79.754740
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -8.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -116.992372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.992372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.992372 (E_RNA)
where:
Base-Base interactions energy: -42.163
where: short stacking energy: -41.852
Base-Backbone interact. energy: -0.210
local terms energy: -74.619480
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -100.869463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.869463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.869463 (E_RNA)
where:
Base-Base interactions energy: -44.581
where: short stacking energy: -37.404
Base-Backbone interact. energy: -0.278
local terms energy: -56.010092
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -107.042974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.042974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.042974 (E_RNA)
where:
Base-Base interactions energy: -47.273
where: short stacking energy: -39.357
Base-Backbone interact. energy: -0.610
local terms energy: -59.159751
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -260.891574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.891574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.891574 (E_RNA)
where:
Base-Base interactions energy: -160.043
where: short stacking energy: -88.261
Base-Backbone interact. energy: -0.124
local terms energy: -100.724751
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -19.316
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: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -254.918823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.918823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.918823 (E_RNA)
where:
Base-Base interactions energy: -152.692
where: short stacking energy: -87.744
Base-Backbone interact. energy: 0.244
local terms energy: -102.470405
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -24.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -209.756980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.756980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.756980 (E_RNA)
where:
Base-Base interactions energy: -127.844
where: short stacking energy: -81.250
Base-Backbone interact. energy: -0.075
local terms energy: -81.838769
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -213.870819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.870819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.870819 (E_RNA)
where:
Base-Base interactions energy: -132.459
where: short stacking energy: -72.013
Base-Backbone interact. energy: -0.230
local terms energy: -81.182487
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -14.735
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: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -182.222662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.222662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.222662 (E_RNA)
where:
Base-Base interactions energy: -108.466
where: short stacking energy: -65.406
Base-Backbone interact. energy: 0.454
local terms energy: -74.211414
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -119.531020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.531020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.531020 (E_RNA)
where:
Base-Base interactions energy: -44.242
where: short stacking energy: -43.579
Base-Backbone interact. energy: -0.427
local terms energy: -74.862358
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -11.413
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: 7, replica: 7
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -123.233207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.233207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.233207 (E_RNA)
where:
Base-Base interactions energy: -44.205
where: short stacking energy: -44.205
Base-Backbone interact. energy: -1.311
local terms energy: -77.717159
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -112.872978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.872978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.872978 (E_RNA)
where:
Base-Base interactions energy: -35.235
where: short stacking energy: -35.235
Base-Backbone interact. energy: -0.335
local terms energy: -77.303557
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -4.977
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: 449
Temperature: 1.300000
Total energy: -96.844645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.844645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.844645 (E_RNA)
where:
Base-Base interactions energy: -32.982
where: short stacking energy: -32.982
Base-Backbone interact. energy: 0.773
local terms energy: -64.635934
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -101.964823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.964823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.964823 (E_RNA)
where:
Base-Base interactions energy: -36.956
where: short stacking energy: -36.851
Base-Backbone interact. energy: -0.135
local terms energy: -64.873918
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -4.999
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: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -262.037529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.037529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.037529 (E_RNA)
where:
Base-Base interactions energy: -156.721
where: short stacking energy: -92.457
Base-Backbone interact. energy: -1.080
local terms energy: -104.237252
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -24.621
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -29.204
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: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -254.771529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.771529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.771529 (E_RNA)
where:
Base-Base interactions energy: -146.723
where: short stacking energy: -92.874
Base-Backbone interact. energy: -0.002
local terms energy: -108.046540
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -30.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -236.253545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.253545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.253545 (E_RNA)
where:
Base-Base interactions energy: -131.463
where: short stacking energy: -84.879
Base-Backbone interact. energy: -0.066
local terms energy: -104.724134
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -24.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -207.940871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.940871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.940871 (E_RNA)
where:
Base-Base interactions energy: -120.931
where: short stacking energy: -74.894
Base-Backbone interact. energy: -0.137
local terms energy: -86.872847
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -20.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -198.567461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.567461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.567461 (E_RNA)
where:
Base-Base interactions energy: -108.800
where: short stacking energy: -67.772
Base-Backbone interact. energy: -0.058
local terms energy: -89.710048
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -22.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -143.360101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.360101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.360101 (E_RNA)
where:
Base-Base interactions energy: -68.303
where: short stacking energy: -44.103
Base-Backbone interact. energy: -0.024
local terms energy: -75.032570
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -13.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -122.889500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.889500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.889500 (E_RNA)
where:
Base-Base interactions energy: -51.999
where: short stacking energy: -51.999
Base-Backbone interact. energy: -0.559
local terms energy: -70.331884
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -119.047872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.047872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.047872 (E_RNA)
where:
Base-Base interactions energy: -44.354
where: short stacking energy: -23.317
Base-Backbone interact. energy: -0.586
local terms energy: -74.107824
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -6.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -100.932004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.932004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.932004 (E_RNA)
where:
Base-Base interactions energy: -29.592
where: short stacking energy: -21.241
Base-Backbone interact. energy: -0.308
local terms energy: -71.032543
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: 0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -109.185035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.185035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.185035 (E_RNA)
where:
Base-Base interactions energy: -42.985
where: short stacking energy: -40.005
Base-Backbone interact. energy: -0.468
local terms energy: -65.732148
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -263.606404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.606404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.606404 (E_RNA)
where:
Base-Base interactions energy: -158.437
where: short stacking energy: -96.494
Base-Backbone interact. energy: -0.127
local terms energy: -105.042299
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -28.862
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: 9
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -257.906530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.906530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.906530 (E_RNA)
where:
Base-Base interactions energy: -148.462
where: short stacking energy: -93.340
Base-Backbone interact. energy: -0.234
local terms energy: -109.210454
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -16.392
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: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -230.170891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.170891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.170891 (E_RNA)
where:
Base-Base interactions energy: -127.212
where: short stacking energy: -83.542
Base-Backbone interact. energy: -0.056
local terms energy: -102.902836
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -15.488
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: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -211.046852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.046852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.046852 (E_RNA)
where:
Base-Base interactions energy: -119.749
where: short stacking energy: -65.524
Base-Backbone interact. energy: -0.245
local terms energy: -91.052650
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -11.182
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: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -183.149050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.149050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.149050 (E_RNA)
where:
Base-Base interactions energy: -102.797
where: short stacking energy: -63.582
Base-Backbone interact. energy: 0.187
local terms energy: -80.538866
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -15.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -126.135917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.135917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.135917 (E_RNA)
where:
Base-Base interactions energy: -40.599
where: short stacking energy: -40.395
Base-Backbone interact. energy: -0.122
local terms energy: -85.414178
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -7.923
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: 451
Temperature: 1.200000
Total energy: -143.513721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.513721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.513721 (E_RNA)
where:
Base-Base interactions energy: -67.343
where: short stacking energy: -33.952
Base-Backbone interact. energy: -0.360
local terms energy: -75.810671
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -106.012509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.012509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.012509 (E_RNA)
where:
Base-Base interactions energy: -30.400
where: short stacking energy: -26.814
Base-Backbone interact. energy: -0.271
local terms energy: -75.341415
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -3.142
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: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -101.593407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.593407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.593407 (E_RNA)
where:
Base-Base interactions energy: -38.647
where: short stacking energy: -39.747
Base-Backbone interact. energy: -0.120
local terms energy: -62.825720
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -12.836
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: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -115.186008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.186008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.186008 (E_RNA)
where:
Base-Base interactions energy: -55.624
where: short stacking energy: -55.824
Base-Backbone interact. energy: -0.218
local terms energy: -59.344031
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -8.959
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -279.069321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.069321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.069321 (E_RNA)
where:
Base-Base interactions energy: -162.133
where: short stacking energy: -97.924
Base-Backbone interact. energy: -0.104
local terms energy: -116.832733
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -29.647
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: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -252.740073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.740073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.740073 (E_RNA)
where:
Base-Base interactions energy: -152.056
where: short stacking energy: -98.355
Base-Backbone interact. energy: -2.436
local terms energy: -98.248264
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -31.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -247.718562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.718562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.718562 (E_RNA)
where:
Base-Base interactions energy: -138.472
where: short stacking energy: -98.805
Base-Backbone interact. energy: -0.313
local terms energy: -108.933280
where:
bonds (distance) C4'-P energy: -20.400
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -31.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -202.473870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.473870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.473870 (E_RNA)
where:
Base-Base interactions energy: -108.612
where: short stacking energy: -68.525
Base-Backbone interact. energy: 0.500
local terms energy: -94.362031
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -23.490
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -174.104868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.104868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.104868 (E_RNA)
where:
Base-Base interactions energy: -91.366
where: short stacking energy: -51.380
Base-Backbone interact. energy: 0.174
local terms energy: -82.913644
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -144.483564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.483564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.483564 (E_RNA)
where:
Base-Base interactions energy: -57.508
where: short stacking energy: -54.264
Base-Backbone interact. energy: -0.134
local terms energy: -86.840671
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -13.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -122.324490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.324490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.324490 (E_RNA)
where:
Base-Base interactions energy: -55.725
where: short stacking energy: -55.725
Base-Backbone interact. energy: -0.104
local terms energy: -66.494815
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -119.339347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.339347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.339347 (E_RNA)
where:
Base-Base interactions energy: -47.113
where: short stacking energy: -43.906
Base-Backbone interact. energy: -0.391
local terms energy: -71.834822
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -21.169
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -100.701686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.701686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.701686 (E_RNA)
where:
Base-Base interactions energy: -33.861
where: short stacking energy: -33.861
Base-Backbone interact. energy: 0.492
local terms energy: -67.331859
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -95.948645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.948645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.948645 (E_RNA)
where:
Base-Base interactions energy: -30.676
where: short stacking energy: -30.676
Base-Backbone interact. energy: -0.298
local terms energy: -64.974879
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: 0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -261.286618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.286618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.286618 (E_RNA)
where:
Base-Base interactions energy: -147.711
where: short stacking energy: -85.695
Base-Backbone interact. energy: -0.111
local terms energy: -113.465266
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -26.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -237.803941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.803941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.803941 (E_RNA)
where:
Base-Base interactions energy: -132.408
where: short stacking energy: -90.008
Base-Backbone interact. energy: 0.848
local terms energy: -106.243422
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -15.304
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: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -250.697429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.697429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.697429 (E_RNA)
where:
Base-Base interactions energy: -141.806
where: short stacking energy: -86.228
Base-Backbone interact. energy: -0.104
local terms energy: -108.787542
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -23.285
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -29.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -190.223856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.223856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.223856 (E_RNA)
where:
Base-Base interactions energy: -99.723
where: short stacking energy: -61.273
Base-Backbone interact. energy: -0.088
local terms energy: -90.412331
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -12.847
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: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -189.356337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.356337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.356337 (E_RNA)
where:
Base-Base interactions energy: -107.032
where: short stacking energy: -61.170
Base-Backbone interact. energy: 3.293
local terms energy: -85.617539
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -22.025
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -15.808
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -116.803155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.803155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.803155 (E_RNA)
where:
Base-Base interactions energy: -41.646
where: short stacking energy: -38.576
Base-Backbone interact. energy: 0.181
local terms energy: -75.338543
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -131.076040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.076040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.076040 (E_RNA)
where:
Base-Base interactions energy: -44.557
where: short stacking energy: -45.522
Base-Backbone interact. energy: -0.051
local terms energy: -86.468160
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -24.146
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -107.967210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.967210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.967210 (E_RNA)
where:
Base-Base interactions energy: -33.765
where: short stacking energy: -19.367
Base-Backbone interact. energy: 0.284
local terms energy: -74.485399
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: 0.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -105.039588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.039588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.039588 (E_RNA)
where:
Base-Base interactions energy: -37.536
where: short stacking energy: -37.536
Base-Backbone interact. energy: 1.047
local terms energy: -68.550495
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -91.308927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.308927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.308927 (E_RNA)
where:
Base-Base interactions energy: -31.329
where: short stacking energy: -31.329
Base-Backbone interact. energy: -0.444
local terms energy: -59.535990
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: 4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -269.051544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.051544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.051544 (E_RNA)
where:
Base-Base interactions energy: -159.009
where: short stacking energy: -87.476
Base-Backbone interact. energy: -0.106
local terms energy: -109.936127
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -22.576
flat angles C4'-P-C4' energy: -23.757
flat angles P-C4'-P energy: -18.095
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: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -237.230168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.230168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.230168 (E_RNA)
where:
Base-Base interactions energy: -129.206
where: short stacking energy: -85.115
Base-Backbone interact. energy: -0.988
local terms energy: -107.036342
where:
bonds (distance) C4'-P energy: -19.756
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -17.697
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: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -241.915266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.915266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.915266 (E_RNA)
where:
Base-Base interactions energy: -136.954
where: short stacking energy: -83.087
Base-Backbone interact. energy: -0.626
local terms energy: -104.335603
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -20.350
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -27.419
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: 454
Temperature: 1.050000
Total energy: -172.914436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.914436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.914436 (E_RNA)
where:
Base-Base interactions energy: -91.321
where: short stacking energy: -51.772
Base-Backbone interact. energy: -0.630
local terms energy: -80.963805
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -186.800719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.800719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.800719 (E_RNA)
where:
Base-Base interactions energy: -100.419
where: short stacking energy: -62.117
Base-Backbone interact. energy: -0.468
local terms energy: -85.914292
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -13.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -136.583571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.583571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.583571 (E_RNA)
where:
Base-Base interactions energy: -60.293
where: short stacking energy: -47.407
Base-Backbone interact. energy: -0.048
local terms energy: -76.242790
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -9.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -118.130260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.130260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.130260 (E_RNA)
where:
Base-Base interactions energy: -43.723
where: short stacking energy: -36.756
Base-Backbone interact. energy: -0.016
local terms energy: -74.391907
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -5.968
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: 454
Temperature: 1.250000
Total energy: -120.206987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.206987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.206987 (E_RNA)
where:
Base-Base interactions energy: -46.019
where: short stacking energy: -46.019
Base-Backbone interact. energy: -1.073
local terms energy: -73.115510
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -8.501
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: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -96.222031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.222031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.222031 (E_RNA)
where:
Base-Base interactions energy: -36.666
where: short stacking energy: -33.361
Base-Backbone interact. energy: 0.083
local terms energy: -59.638438
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -3.020
tors. eta vs tors. theta energy: -0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -90.602134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.602134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.602134 (E_RNA)
where:
Base-Base interactions energy: -20.965
where: short stacking energy: -21.465
Base-Backbone interact. energy: -0.270
local terms energy: -69.366676
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -274.240523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.240523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.240523 (E_RNA)
where:
Base-Base interactions energy: -168.091
where: short stacking energy: -103.695
Base-Backbone interact. energy: -0.000
local terms energy: -106.149097
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -21.798
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -31.481
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: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -247.909591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.909591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.909591 (E_RNA)
where:
Base-Base interactions energy: -140.832
where: short stacking energy: -88.613
Base-Backbone interact. energy: -0.058
local terms energy: -107.019856
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -26.112
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: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -233.784696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.784696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.784696 (E_RNA)
where:
Base-Base interactions energy: -133.230
where: short stacking energy: -86.008
Base-Backbone interact. energy: -0.141
local terms energy: -100.414519
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -24.133
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: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -194.639369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.639369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.639369 (E_RNA)
where:
Base-Base interactions energy: -119.627
where: short stacking energy: -82.481
Base-Backbone interact. energy: 0.019
local terms energy: -75.031160
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -20.941
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -21.124
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: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -176.819198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.819198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.819198 (E_RNA)
where:
Base-Base interactions energy: -98.941
where: short stacking energy: -61.489
Base-Backbone interact. energy: -0.573
local terms energy: -77.304805
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -130.622725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.622725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.622725 (E_RNA)
where:
Base-Base interactions energy: -52.821
where: short stacking energy: -52.821
Base-Backbone interact. energy: -0.223
local terms energy: -77.577900
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -133.225097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.225097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.225097 (E_RNA)
where:
Base-Base interactions energy: -54.578
where: short stacking energy: -54.425
Base-Backbone interact. energy: -0.045
local terms energy: -78.601681
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -14.727
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: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -102.730727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.730727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.730727 (E_RNA)
where:
Base-Base interactions energy: -41.619
where: short stacking energy: -32.917
Base-Backbone interact. energy: -0.115
local terms energy: -60.997282
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -108.596402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.596402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.596402 (E_RNA)
where:
Base-Base interactions energy: -43.652
where: short stacking energy: -43.652
Base-Backbone interact. energy: -0.069
local terms energy: -64.875115
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -102.828729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.828729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.828729 (E_RNA)
where:
Base-Base interactions energy: -41.721
where: short stacking energy: -41.721
Base-Backbone interact. energy: -0.206
local terms energy: -60.901105
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -4.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -271.112067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.112067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.112067 (E_RNA)
where:
Base-Base interactions energy: -157.299
where: short stacking energy: -92.190
Base-Backbone interact. energy: -0.047
local terms energy: -113.766214
where:
bonds (distance) C4'-P energy: -22.830
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -24.190
flat angles P-C4'-P energy: -17.242
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: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -248.382239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.382239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.382239 (E_RNA)
where:
Base-Base interactions energy: -141.950
where: short stacking energy: -90.935
Base-Backbone interact. energy: -0.003
local terms energy: -106.429875
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -23.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -233.185169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.185169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.185169 (E_RNA)
where:
Base-Base interactions energy: -134.332
where: short stacking energy: -87.236
Base-Backbone interact. energy: -0.658
local terms energy: -98.194745
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -22.511
flat angles P-C4'-P energy: -15.498
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: 4, replica: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -239.144405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.144405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.144405 (E_RNA)
where:
Base-Base interactions energy: -138.739
where: short stacking energy: -86.654
Base-Backbone interact. energy: -0.058
local terms energy: -100.347044
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -13.257
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: 5, replica: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -143.600222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.600222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.600222 (E_RNA)
where:
Base-Base interactions energy: -73.477
where: short stacking energy: -52.233
Base-Backbone interact. energy: 0.137
local terms energy: -70.260757
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -8.439
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: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -173.091212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.091212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.091212 (E_RNA)
where:
Base-Base interactions energy: -83.694
where: short stacking energy: -55.519
Base-Backbone interact. energy: -0.046
local terms energy: -89.351554
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -133.598515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.598515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.598515 (E_RNA)
where:
Base-Base interactions energy: -53.941
where: short stacking energy: -51.546
Base-Backbone interact. energy: -0.098
local terms energy: -79.559525
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -101.073504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.073504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.073504 (E_RNA)
where:
Base-Base interactions energy: -34.244
where: short stacking energy: -34.244
Base-Backbone interact. energy: -0.394
local terms energy: -66.435324
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: 1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -110.498951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.498951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.498951 (E_RNA)
where:
Base-Base interactions energy: -35.857
where: short stacking energy: -35.358
Base-Backbone interact. energy: -0.190
local terms energy: -74.452358
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -22.255
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -2.982
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: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -113.416582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.416582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.416582 (E_RNA)
where:
Base-Base interactions energy: -39.091
where: short stacking energy: -37.253
Base-Backbone interact. energy: -0.167
local terms energy: -74.158371
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -7.869
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: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -264.807505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.807505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.807505 (E_RNA)
where:
Base-Base interactions energy: -154.392
where: short stacking energy: -86.969
Base-Backbone interact. energy: -0.082
local terms energy: -110.334011
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -22.072
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -29.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -222.799262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.799262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.799262 (E_RNA)
where:
Base-Base interactions energy: -125.737
where: short stacking energy: -82.320
Base-Backbone interact. energy: -0.213
local terms energy: -96.849240
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -14.607
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: 3, replica: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -240.436454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.436454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.436454 (E_RNA)
where:
Base-Base interactions energy: -147.580
where: short stacking energy: -88.623
Base-Backbone interact. energy: 0.673
local terms energy: -93.529191
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -220.820612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.820612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.820612 (E_RNA)
where:
Base-Base interactions energy: -117.776
where: short stacking energy: -82.325
Base-Backbone interact. energy: -0.142
local terms energy: -102.902417
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -22.723
flat angles P-C4'-P energy: -15.816
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: 5, replica: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -145.678971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.678971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.678971 (E_RNA)
where:
Base-Base interactions energy: -63.277
where: short stacking energy: -61.142
Base-Backbone interact. energy: -0.143
local terms energy: -82.259062
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -150.421842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.421842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.421842 (E_RNA)
where:
Base-Base interactions energy: -72.465
where: short stacking energy: -48.038
Base-Backbone interact. energy: -2.758
local terms energy: -75.198552
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -13.680
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: 7, replica: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -111.314116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.314116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.314116 (E_RNA)
where:
Base-Base interactions energy: -38.207
where: short stacking energy: -38.207
Base-Backbone interact. energy: -0.267
local terms energy: -72.839639
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -1.217
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: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -107.313759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.313759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.313759 (E_RNA)
where:
Base-Base interactions energy: -33.105
where: short stacking energy: -29.773
Base-Backbone interact. energy: -0.206
local terms energy: -74.003452
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -7.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -107.387964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.387964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.387964 (E_RNA)
where:
Base-Base interactions energy: -33.723
where: short stacking energy: -33.308
Base-Backbone interact. energy: -0.269
local terms energy: -73.395514
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -14.665
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: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -106.269613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.269613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.269613 (E_RNA)
where:
Base-Base interactions energy: -37.391
where: short stacking energy: -36.446
Base-Backbone interact. energy: -0.080
local terms energy: -68.798394
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -265.399449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.399449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.399449 (E_RNA)
where:
Base-Base interactions energy: -162.757
where: short stacking energy: -94.928
Base-Backbone interact. energy: -0.086
local terms energy: -102.555661
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -26.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -234.295646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.295646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.295646 (E_RNA)
where:
Base-Base interactions energy: -136.631
where: short stacking energy: -87.816
Base-Backbone interact. energy: -0.034
local terms energy: -97.630361
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -26.415
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -22.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -233.200356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.200356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.200356 (E_RNA)
where:
Base-Base interactions energy: -135.332
where: short stacking energy: -86.437
Base-Backbone interact. energy: -0.192
local terms energy: -97.675845
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -15.710
tors. eta vs tors. theta energy: -26.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -234.829727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.829727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.829727 (E_RNA)
where:
Base-Base interactions energy: -136.360
where: short stacking energy: -78.074
Base-Backbone interact. energy: 0.041
local terms energy: -98.510895
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -184.435828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.435828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.435828 (E_RNA)
where:
Base-Base interactions energy: -100.056
where: short stacking energy: -43.438
Base-Backbone interact. energy: 1.136
local terms energy: -85.516097
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -17.019
tors. eta vs tors. theta energy: -10.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -114.433425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.433425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.433425 (E_RNA)
where:
Base-Base interactions energy: -35.322
where: short stacking energy: -35.322
Base-Backbone interact. energy: -0.351
local terms energy: -78.759503
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -119.518616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.518616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.518616 (E_RNA)
where:
Base-Base interactions energy: -46.428
where: short stacking energy: -46.029
Base-Backbone interact. energy: -0.030
local terms energy: -73.060140
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -108.614537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.614537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.614537 (E_RNA)
where:
Base-Base interactions energy: -51.133
where: short stacking energy: -46.984
Base-Backbone interact. energy: -0.212
local terms energy: -57.269105
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -1.203
tors. eta vs tors. theta energy: -2.584
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: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -102.616693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.616693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.616693 (E_RNA)
where:
Base-Base interactions energy: -39.668
where: short stacking energy: -36.177
Base-Backbone interact. energy: -0.234
local terms energy: -62.714645
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -6.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -99.519370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.519370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.519370 (E_RNA)
where:
Base-Base interactions energy: -32.894
where: short stacking energy: -32.894
Base-Backbone interact. energy: -0.200
local terms energy: -66.425159
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -262.878298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.878298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.878298 (E_RNA)
where:
Base-Base interactions energy: -156.023
where: short stacking energy: -91.458
Base-Backbone interact. energy: -0.084
local terms energy: -106.771401
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -16.814
tors. eta vs tors. theta energy: -24.766
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: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -245.355160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.355160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.355160 (E_RNA)
where:
Base-Base interactions energy: -140.315
where: short stacking energy: -95.907
Base-Backbone interact. energy: -0.187
local terms energy: -104.853352
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -30.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -213.026457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.026457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.026457 (E_RNA)
where:
Base-Base interactions energy: -119.414
where: short stacking energy: -73.897
Base-Backbone interact. energy: -0.040
local terms energy: -93.572424
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -20.313
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: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -232.780885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.780885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.780885 (E_RNA)
where:
Base-Base interactions energy: -138.033
where: short stacking energy: -82.904
Base-Backbone interact. energy: 0.901
local terms energy: -95.648012
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -13.617
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: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -186.844656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.844656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.844656 (E_RNA)
where:
Base-Base interactions energy: -99.568
where: short stacking energy: -57.966
Base-Backbone interact. energy: -0.452
local terms energy: -86.824083
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -13.708
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: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -124.715727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.715727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.715727 (E_RNA)
where:
Base-Base interactions energy: -45.556
where: short stacking energy: -37.239
Base-Backbone interact. energy: -0.143
local terms energy: -79.017207
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -11.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -114.953452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.953452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.953452 (E_RNA)
where:
Base-Base interactions energy: -42.331
where: short stacking energy: -37.829
Base-Backbone interact. energy: 0.224
local terms energy: -72.846202
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -3.318
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: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -103.837721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.837721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.837721 (E_RNA)
where:
Base-Base interactions energy: -31.539
where: short stacking energy: -30.902
Base-Backbone interact. energy: -0.267
local terms energy: -72.031616
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -98.753749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.753749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.753749 (E_RNA)
where:
Base-Base interactions energy: -36.246
where: short stacking energy: -36.246
Base-Backbone interact. energy: -1.508
local terms energy: -60.999300
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: 1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -104.212595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.212595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.212595 (E_RNA)
where:
Base-Base interactions energy: -43.653
where: short stacking energy: -42.251
Base-Backbone interact. energy: -0.279
local terms energy: -60.280699
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -9.872
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -263.709376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.709376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.709376 (E_RNA)
where:
Base-Base interactions energy: -149.750
where: short stacking energy: -89.666
Base-Backbone interact. energy: -3.080
local terms energy: -110.878947
where:
bonds (distance) C4'-P energy: -23.311
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -18.244
tors. eta vs tors. theta energy: -26.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -249.275887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.275887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.275887 (E_RNA)
where:
Base-Base interactions energy: -143.204
where: short stacking energy: -95.936
Base-Backbone interact. energy: -0.010
local terms energy: -106.062526
where:
bonds (distance) C4'-P energy: -21.144
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -28.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -251.007444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.007444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.007444 (E_RNA)
where:
Base-Base interactions energy: -144.745
where: short stacking energy: -88.567
Base-Backbone interact. energy: -0.045
local terms energy: -106.216858
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -16.209
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: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -197.074104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.074104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.074104 (E_RNA)
where:
Base-Base interactions energy: -107.896
where: short stacking energy: -59.444
Base-Backbone interact. energy: -0.172
local terms energy: -89.005674
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -19.419
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -19.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -166.161990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.161990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.161990 (E_RNA)
where:
Base-Base interactions energy: -68.666
where: short stacking energy: -68.666
Base-Backbone interact. energy: -0.040
local terms energy: -97.455666
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -179.749945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.749945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.749945 (E_RNA)
where:
Base-Base interactions energy: -101.927
where: short stacking energy: -52.616
Base-Backbone interact. energy: -0.606
local terms energy: -77.216699
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -11.140
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: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -104.714101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.714101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.714101 (E_RNA)
where:
Base-Base interactions energy: -31.491
where: short stacking energy: -31.491
Base-Backbone interact. energy: 0.211
local terms energy: -73.433995
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -4.502
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: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -122.895510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.895510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.895510 (E_RNA)
where:
Base-Base interactions energy: -47.626
where: short stacking energy: -43.777
Base-Backbone interact. energy: -0.184
local terms energy: -75.086277
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -5.815
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: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -106.465625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.465625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.465625 (E_RNA)
where:
Base-Base interactions energy: -43.372
where: short stacking energy: -39.268
Base-Backbone interact. energy: -0.173
local terms energy: -62.920965
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -5.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -98.981284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.981284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.981284 (E_RNA)
where:
Base-Base interactions energy: -40.835
where: short stacking energy: -40.261
Base-Backbone interact. energy: -0.153
local terms energy: -57.993723
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -256.245239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.245239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.245239 (E_RNA)
where:
Base-Base interactions energy: -152.616
where: short stacking energy: -96.842
Base-Backbone interact. energy: -0.096
local terms energy: -103.533166
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -22.701
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -24.241
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: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -271.368960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.368960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.368960 (E_RNA)
where:
Base-Base interactions energy: -158.057
where: short stacking energy: -96.427
Base-Backbone interact. energy: -0.035
local terms energy: -113.276940
where:
bonds (distance) C4'-P energy: -24.325
bonds (distance) P-C4' energy: -21.282
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -29.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -225.310830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.310830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.310830 (E_RNA)
where:
Base-Base interactions energy: -129.789
where: short stacking energy: -80.693
Base-Backbone interact. energy: -0.025
local terms energy: -95.497661
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -21.082
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -23.274
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: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -236.954095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.954095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.954095 (E_RNA)
where:
Base-Base interactions energy: -133.419
where: short stacking energy: -91.152
Base-Backbone interact. energy: -0.011
local terms energy: -103.524487
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -29.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -137.228000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.228000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.228000 (E_RNA)
where:
Base-Base interactions energy: -56.570
where: short stacking energy: -44.456
Base-Backbone interact. energy: -0.020
local terms energy: -80.638126
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -22.090
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -9.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -122.130648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.130648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.130648 (E_RNA)
where:
Base-Base interactions energy: -38.727
where: short stacking energy: -36.512
Base-Backbone interact. energy: 0.467
local terms energy: -83.871055
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -177.376329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.376329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.376329 (E_RNA)
where:
Base-Base interactions energy: -100.936
where: short stacking energy: -58.003
Base-Backbone interact. energy: -0.013
local terms energy: -76.426977
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -117.461095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.461095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.461095 (E_RNA)
where:
Base-Base interactions energy: -42.843
where: short stacking energy: -33.241
Base-Backbone interact. energy: -0.079
local terms energy: -74.539934
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: 0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -110.393509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.393509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.393509 (E_RNA)
where:
Base-Base interactions energy: -36.896
where: short stacking energy: -32.174
Base-Backbone interact. energy: -0.320
local terms energy: -73.177625
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -9.068
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: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -90.926690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.926690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.926690 (E_RNA)
where:
Base-Base interactions energy: -29.324
where: short stacking energy: -26.494
Base-Backbone interact. energy: -0.148
local terms energy: -61.454716
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -258.878708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.878708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.878708 (E_RNA)
where:
Base-Base interactions energy: -153.970
where: short stacking energy: -93.491
Base-Backbone interact. energy: -0.005
local terms energy: -104.903882
where:
bonds (distance) C4'-P energy: -21.215
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -25.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -261.807682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.807682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.807682 (E_RNA)
where:
Base-Base interactions energy: -157.552
where: short stacking energy: -97.786
Base-Backbone interact. energy: -0.027
local terms energy: -104.228226
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -23.766
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: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -235.399052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.399052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.399052 (E_RNA)
where:
Base-Base interactions energy: -131.668
where: short stacking energy: -81.953
Base-Backbone interact. energy: -0.030
local terms energy: -103.700302
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -21.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -203.774871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.774871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.774871 (E_RNA)
where:
Base-Base interactions energy: -117.031
where: short stacking energy: -70.027
Base-Backbone interact. energy: -0.053
local terms energy: -86.690971
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -129.460558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.460558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.460558 (E_RNA)
where:
Base-Base interactions energy: -58.362
where: short stacking energy: -38.518
Base-Backbone interact. energy: 2.774
local terms energy: -73.872136
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -147.782865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.782865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.782865 (E_RNA)
where:
Base-Base interactions energy: -79.514
where: short stacking energy: -50.655
Base-Backbone interact. energy: -0.092
local terms energy: -68.176360
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -171.407321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.407321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.407321 (E_RNA)
where:
Base-Base interactions energy: -89.943
where: short stacking energy: -51.798
Base-Backbone interact. energy: -0.326
local terms energy: -81.138341
where:
bonds (distance) C4'-P energy: -21.554
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -110.698445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.698445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.698445 (E_RNA)
where:
Base-Base interactions energy: -42.212
where: short stacking energy: -40.089
Base-Backbone interact. energy: -0.208
local terms energy: -68.278094
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -106.388528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.388528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.388528 (E_RNA)
where:
Base-Base interactions energy: -43.823
where: short stacking energy: -31.305
Base-Backbone interact. energy: 1.129
local terms energy: -63.694703
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -6.130
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: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -104.529974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.529974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.529974 (E_RNA)
where:
Base-Base interactions energy: -35.839
where: short stacking energy: -27.245
Base-Backbone interact. energy: -0.377
local terms energy: -68.313620
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: 1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -259.334821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.334821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.334821 (E_RNA)
where:
Base-Base interactions energy: -151.626
where: short stacking energy: -87.536
Base-Backbone interact. energy: -0.011
local terms energy: -107.697713
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -26.912
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: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -253.902995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.902995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.902995 (E_RNA)
where:
Base-Base interactions energy: -150.854
where: short stacking energy: -90.477
Base-Backbone interact. energy: -0.001
local terms energy: -103.048522
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -25.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -241.808709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.808709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.808709 (E_RNA)
where:
Base-Base interactions energy: -142.955
where: short stacking energy: -89.111
Base-Backbone interact. energy: -0.008
local terms energy: -98.846035
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -19.549
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -29.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -217.400608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.400608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.400608 (E_RNA)
where:
Base-Base interactions energy: -119.533
where: short stacking energy: -73.856
Base-Backbone interact. energy: -0.294
local terms energy: -97.573543
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -18.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -144.600320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.600320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.600320 (E_RNA)
where:
Base-Base interactions energy: -72.283
where: short stacking energy: -37.947
Base-Backbone interact. energy: -0.495
local terms energy: -71.821452
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -15.699
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: 6, replica: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -183.040557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.040557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.040557 (E_RNA)
where:
Base-Base interactions energy: -95.149
where: short stacking energy: -58.400
Base-Backbone interact. energy: -0.303
local terms energy: -87.589220
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -113.485257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.485257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.485257 (E_RNA)
where:
Base-Base interactions energy: -46.423
where: short stacking energy: -39.321
Base-Backbone interact. energy: -0.324
local terms energy: -66.738086
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -7.713
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: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -111.824456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.824456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.824456 (E_RNA)
where:
Base-Base interactions energy: -46.309
where: short stacking energy: -30.350
Base-Backbone interact. energy: -0.276
local terms energy: -65.239283
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -23.071
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -109.344991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.344991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.344991 (E_RNA)
where:
Base-Base interactions energy: -31.353
where: short stacking energy: -31.353
Base-Backbone interact. energy: -0.136
local terms energy: -77.856174
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -12.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -95.670612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.670612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.670612 (E_RNA)
where:
Base-Base interactions energy: -31.713
where: short stacking energy: -30.056
Base-Backbone interact. energy: -1.129
local terms energy: -62.828133
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: 0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -276.112082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.112082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.112082 (E_RNA)
where:
Base-Base interactions energy: -164.572
where: short stacking energy: -103.220
Base-Backbone interact. energy: -0.043
local terms energy: -111.496441
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -33.535
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: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -254.473718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.473718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.473718 (E_RNA)
where:
Base-Base interactions energy: -150.831
where: short stacking energy: -90.248
Base-Backbone interact. energy: -0.297
local terms energy: -103.345470
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -24.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -215.460511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.460511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.460511 (E_RNA)
where:
Base-Base interactions energy: -117.681
where: short stacking energy: -74.610
Base-Backbone interact. energy: -0.061
local terms energy: -97.718542
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -222.567980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.567980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.567980 (E_RNA)
where:
Base-Base interactions energy: -127.880
where: short stacking energy: -78.392
Base-Backbone interact. energy: 0.223
local terms energy: -94.911713
where:
bonds (distance) C4'-P energy: -23.452
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -221.096335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.096335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.096335 (E_RNA)
where:
Base-Base interactions energy: -123.242
where: short stacking energy: -80.111
Base-Backbone interact. energy: -0.226
local terms energy: -97.628323
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -24.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -131.680029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.680029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.680029 (E_RNA)
where:
Base-Base interactions energy: -51.765
where: short stacking energy: -51.765
Base-Backbone interact. energy: -0.100
local terms energy: -79.815088
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -11.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -126.269990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.269990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.269990 (E_RNA)
where:
Base-Base interactions energy: -58.768
where: short stacking energy: -48.395
Base-Backbone interact. energy: 0.103
local terms energy: -67.604857
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -3.406
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -107.575206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.575206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.575206 (E_RNA)
where:
Base-Base interactions energy: -34.446
where: short stacking energy: -34.015
Base-Backbone interact. energy: -0.011
local terms energy: -73.118088
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -116.644154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.644154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.644154 (E_RNA)
where:
Base-Base interactions energy: -45.298
where: short stacking energy: -45.020
Base-Backbone interact. energy: -0.155
local terms energy: -71.191848
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -14.405
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: 10, replica: 5
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -92.641307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.641307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.641307 (E_RNA)
where:
Base-Base interactions energy: -26.934
where: short stacking energy: -25.998
Base-Backbone interact. energy: -0.410
local terms energy: -65.297104
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -20.724
flat angles C4'-P-C4' energy: -21.678
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: 3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -264.585938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.585938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.585938 (E_RNA)
where:
Base-Base interactions energy: -155.946
where: short stacking energy: -98.039
Base-Backbone interact. energy: -0.066
local terms energy: -108.573999
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -33.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -253.388172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.388172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.388172 (E_RNA)
where:
Base-Base interactions energy: -144.063
where: short stacking energy: -83.684
Base-Backbone interact. energy: -0.178
local terms energy: -109.147065
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -24.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -228.549224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.549224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.549224 (E_RNA)
where:
Base-Base interactions energy: -128.865
where: short stacking energy: -84.659
Base-Backbone interact. energy: -0.212
local terms energy: -99.471807
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -22.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -211.472146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.472146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.472146 (E_RNA)
where:
Base-Base interactions energy: -117.144
where: short stacking energy: -74.675
Base-Backbone interact. energy: -0.023
local terms energy: -94.305067
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -21.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -226.138239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.138239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.138239 (E_RNA)
where:
Base-Base interactions energy: -129.863
where: short stacking energy: -83.071
Base-Backbone interact. energy: -0.017
local terms energy: -96.257482
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -27.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -139.766289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.766289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.766289 (E_RNA)
where:
Base-Base interactions energy: -59.047
where: short stacking energy: -54.029
Base-Backbone interact. energy: -0.261
local terms energy: -80.458217
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -23.407
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -122.009569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.009569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.009569 (E_RNA)
where:
Base-Base interactions energy: -47.432
where: short stacking energy: -41.654
Base-Backbone interact. energy: -0.018
local terms energy: -74.560022
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -10.332
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: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -117.245244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.245244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.245244 (E_RNA)
where:
Base-Base interactions energy: -40.741
where: short stacking energy: -40.741
Base-Backbone interact. energy: -0.034
local terms energy: -76.470495
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -5.532
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: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -102.303930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.303930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.303930 (E_RNA)
where:
Base-Base interactions energy: -28.395
where: short stacking energy: -18.653
Base-Backbone interact. energy: -0.708
local terms energy: -73.200189
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: 0.659
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: 5
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -94.098769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.098769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.098769 (E_RNA)
where:
Base-Base interactions energy: -27.135
where: short stacking energy: -22.589
Base-Backbone interact. energy: -0.456
local terms energy: -66.507579
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -265.923975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.923975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.923975 (E_RNA)
where:
Base-Base interactions energy: -166.428
where: short stacking energy: -99.690
Base-Backbone interact. energy: -0.104
local terms energy: -99.392518
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -14.504
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: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -249.702196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.702196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.702196 (E_RNA)
where:
Base-Base interactions energy: -145.381
where: short stacking energy: -84.649
Base-Backbone interact. energy: -1.205
local terms energy: -103.116040
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -27.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -228.644885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.644885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.644885 (E_RNA)
where:
Base-Base interactions energy: -122.495
where: short stacking energy: -77.992
Base-Backbone interact. energy: -0.028
local terms energy: -106.121633
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -24.294
flat angles C4'-P-C4' energy: -21.291
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -22.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -192.902253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.902253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.902253 (E_RNA)
where:
Base-Base interactions energy: -107.527
where: short stacking energy: -75.381
Base-Backbone interact. energy: -0.180
local terms energy: -85.195095
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -206.570130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.570130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.570130 (E_RNA)
where:
Base-Base interactions energy: -117.764
where: short stacking energy: -74.543
Base-Backbone interact. energy: -0.068
local terms energy: -88.738127
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -21.666
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: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -125.973981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.973981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.973981 (E_RNA)
where:
Base-Base interactions energy: -45.175
where: short stacking energy: -45.175
Base-Backbone interact. energy: 0.718
local terms energy: -81.516849
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -9.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -109.152106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.152106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.152106 (E_RNA)
where:
Base-Base interactions energy: -42.546
where: short stacking energy: -27.538
Base-Backbone interact. energy: 0.448
local terms energy: -67.053292
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -131.814263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.814263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.814263 (E_RNA)
where:
Base-Base interactions energy: -57.143
where: short stacking energy: -47.622
Base-Backbone interact. energy: -0.115
local terms energy: -74.556071
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -12.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -118.162503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.162503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.162503 (E_RNA)
where:
Base-Base interactions energy: -41.453
where: short stacking energy: -41.453
Base-Backbone interact. energy: -0.372
local terms energy: -76.337359
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -95.830213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.830213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.830213 (E_RNA)
where:
Base-Base interactions energy: -37.370
where: short stacking energy: -27.786
Base-Backbone interact. energy: -2.172
local terms energy: -56.288066
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -271.852817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.852817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.852817 (E_RNA)
where:
Base-Base interactions energy: -163.413
where: short stacking energy: -92.628
Base-Backbone interact. energy: -0.005
local terms energy: -108.434703
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -25.262
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -25.620
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: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -243.619277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.619277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.619277 (E_RNA)
where:
Base-Base interactions energy: -148.658
where: short stacking energy: -84.637
Base-Backbone interact. energy: -0.037
local terms energy: -94.924852
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -22.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -246.305052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.305052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.305052 (E_RNA)
where:
Base-Base interactions energy: -141.592
where: short stacking energy: -89.187
Base-Backbone interact. energy: -0.013
local terms energy: -104.700044
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -23.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -182.722361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.722361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.722361 (E_RNA)
where:
Base-Base interactions energy: -101.072
where: short stacking energy: -58.824
Base-Backbone interact. energy: -0.546
local terms energy: -81.105058
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -188.752174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.752174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.752174 (E_RNA)
where:
Base-Base interactions energy: -101.282
where: short stacking energy: -64.292
Base-Backbone interact. energy: -0.301
local terms energy: -87.169064
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -12.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -179.736678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.736678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.736678 (E_RNA)
where:
Base-Base interactions energy: -89.728
where: short stacking energy: -64.127
Base-Backbone interact. energy: -0.187
local terms energy: -89.821735
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -21.362
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -23.230
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: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -132.836474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.836474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.836474 (E_RNA)
where:
Base-Base interactions energy: -50.547
where: short stacking energy: -50.547
Base-Backbone interact. energy: -0.072
local terms energy: -82.216580
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -123.580875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.580875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.580875 (E_RNA)
where:
Base-Base interactions energy: -55.803
where: short stacking energy: -34.922
Base-Backbone interact. energy: -0.423
local terms energy: -67.355168
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -99.664203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.664203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.664203 (E_RNA)
where:
Base-Base interactions energy: -34.675
where: short stacking energy: -22.993
Base-Backbone interact. energy: -0.619
local terms energy: -64.369411
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -99.142844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.142844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.142844 (E_RNA)
where:
Base-Base interactions energy: -37.877
where: short stacking energy: -31.524
Base-Backbone interact. energy: -0.859
local terms energy: -60.406947
where:
bonds (distance) C4'-P energy: -7.012
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -253.507475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.507475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.507475 (E_RNA)
where:
Base-Base interactions energy: -147.974
where: short stacking energy: -85.631
Base-Backbone interact. energy: -0.890
local terms energy: -104.643618
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -26.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -265.192897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.192897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.192897 (E_RNA)
where:
Base-Base interactions energy: -163.069
where: short stacking energy: -99.860
Base-Backbone interact. energy: -0.059
local terms energy: -102.064673
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -25.908
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: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -206.360685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.360685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.360685 (E_RNA)
where:
Base-Base interactions energy: -102.430
where: short stacking energy: -65.836
Base-Backbone interact. energy: -0.070
local terms energy: -103.860704
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -19.607
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -201.690780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.690780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.690780 (E_RNA)
where:
Base-Base interactions energy: -108.310
where: short stacking energy: -56.044
Base-Backbone interact. energy: -0.064
local terms energy: -93.317208
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -24.995
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -207.070039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.070039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.070039 (E_RNA)
where:
Base-Base interactions energy: -113.923
where: short stacking energy: -72.379
Base-Backbone interact. energy: -0.151
local terms energy: -92.995363
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -18.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -175.682741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.682741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.682741 (E_RNA)
where:
Base-Base interactions energy: -92.594
where: short stacking energy: -63.239
Base-Backbone interact. energy: -0.181
local terms energy: -82.907911
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -131.479548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.479548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.479548 (E_RNA)
where:
Base-Base interactions energy: -55.704
where: short stacking energy: -44.604
Base-Backbone interact. energy: -0.132
local terms energy: -75.643804
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -104.087037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.087037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.087037 (E_RNA)
where:
Base-Base interactions energy: -28.847
where: short stacking energy: -28.820
Base-Backbone interact. energy: -0.081
local terms energy: -75.158939
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -102.058137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.058137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.058137 (E_RNA)
where:
Base-Base interactions energy: -38.296
where: short stacking energy: -28.328
Base-Backbone interact. energy: 0.401
local terms energy: -64.162867
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -111.467111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.467111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.467111 (E_RNA)
where:
Base-Base interactions energy: -39.560
where: short stacking energy: -39.560
Base-Backbone interact. energy: -0.033
local terms energy: -71.875013
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -9.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -262.183727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.183727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.183727 (E_RNA)
where:
Base-Base interactions energy: -156.038
where: short stacking energy: -99.036
Base-Backbone interact. energy: 0.714
local terms energy: -106.858934
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -30.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -232.432330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.432330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.432330 (E_RNA)
where:
Base-Base interactions energy: -136.380
where: short stacking energy: -75.795
Base-Backbone interact. energy: -0.388
local terms energy: -95.664284
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -253.413811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.413811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.413811 (E_RNA)
where:
Base-Base interactions energy: -148.960
where: short stacking energy: -83.610
Base-Backbone interact. energy: -0.109
local terms energy: -104.344758
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -25.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -205.712333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.712333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.712333 (E_RNA)
where:
Base-Base interactions energy: -121.815
where: short stacking energy: -56.118
Base-Backbone interact. energy: -0.147
local terms energy: -83.750472
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -19.597
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -191.338129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.338129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.338129 (E_RNA)
where:
Base-Base interactions energy: -109.519
where: short stacking energy: -69.919
Base-Backbone interact. energy: 1.202
local terms energy: -83.021361
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -14.329
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: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -159.464923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.464923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.464923 (E_RNA)
where:
Base-Base interactions energy: -72.869
where: short stacking energy: -46.302
Base-Backbone interact. energy: -0.298
local terms energy: -86.298620
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -111.667975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.667975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.667975 (E_RNA)
where:
Base-Base interactions energy: -42.754
where: short stacking energy: -42.754
Base-Backbone interact. energy: -0.198
local terms energy: -68.716117
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -116.779574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.779574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.779574 (E_RNA)
where:
Base-Base interactions energy: -41.481
where: short stacking energy: -34.342
Base-Backbone interact. energy: -0.312
local terms energy: -74.986958
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -13.533
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: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -104.476174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.476174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.476174 (E_RNA)
where:
Base-Base interactions energy: -38.779
where: short stacking energy: -38.779
Base-Backbone interact. energy: -0.411
local terms energy: -65.285497
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -7.275
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: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -97.300307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.300307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.300307 (E_RNA)
where:
Base-Base interactions energy: -34.514
where: short stacking energy: -34.514
Base-Backbone interact. energy: -0.142
local terms energy: -62.644264
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: 2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -255.321832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.321832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.321832 (E_RNA)
where:
Base-Base interactions energy: -147.425
where: short stacking energy: -89.136
Base-Backbone interact. energy: -0.006
local terms energy: -107.891533
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -26.625
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: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -224.343802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.343802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.343802 (E_RNA)
where:
Base-Base interactions energy: -126.742
where: short stacking energy: -75.837
Base-Backbone interact. energy: 0.314
local terms energy: -97.916084
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -25.399
flat angles P-C4'-P energy: -17.975
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: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -249.461379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.461379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.461379 (E_RNA)
where:
Base-Base interactions energy: -141.256
where: short stacking energy: -84.803
Base-Backbone interact. energy: -0.031
local terms energy: -108.174421
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -23.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -207.532356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.532356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.532356 (E_RNA)
where:
Base-Base interactions energy: -120.277
where: short stacking energy: -75.582
Base-Backbone interact. energy: -0.433
local terms energy: -86.822606
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -166.350862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.350862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.350862 (E_RNA)
where:
Base-Base interactions energy: -92.624
where: short stacking energy: -62.195
Base-Backbone interact. energy: -0.076
local terms energy: -73.650403
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -11.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -172.522554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.522554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.522554 (E_RNA)
where:
Base-Base interactions energy: -90.813
where: short stacking energy: -47.702
Base-Backbone interact. energy: -0.291
local terms energy: -81.418381
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -8.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -130.533228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.533228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.533228 (E_RNA)
where:
Base-Base interactions energy: -57.666
where: short stacking energy: -57.666
Base-Backbone interact. energy: 0.521
local terms energy: -73.388926
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -114.213955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.213955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.213955 (E_RNA)
where:
Base-Base interactions energy: -35.619
where: short stacking energy: -35.619
Base-Backbone interact. energy: -0.028
local terms energy: -78.567261
where:
bonds (distance) C4'-P energy: -22.540
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -3.714
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: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -102.512438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.512438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.512438 (E_RNA)
where:
Base-Base interactions energy: -31.106
where: short stacking energy: -31.106
Base-Backbone interact. energy: -0.048
local terms energy: -71.358959
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -108.143884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.143884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.143884 (E_RNA)
where:
Base-Base interactions energy: -32.644
where: short stacking energy: -32.644
Base-Backbone interact. energy: -0.881
local terms energy: -74.619244
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -23.527
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -252.837962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.837962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.837962 (E_RNA)
where:
Base-Base interactions energy: -147.248
where: short stacking energy: -84.273
Base-Backbone interact. energy: -1.654
local terms energy: -103.935957
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -24.384
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: 471
Temperature: 0.950000
Total energy: -248.400818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.400818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.400818 (E_RNA)
where:
Base-Base interactions energy: -150.684
where: short stacking energy: -84.025
Base-Backbone interact. energy: -0.021
local terms energy: -97.696286
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -23.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -201.590630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.590630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.590630 (E_RNA)
where:
Base-Base interactions energy: -107.112
where: short stacking energy: -66.099
Base-Backbone interact. energy: -0.105
local terms energy: -94.372939
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -23.649
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -185.211620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.211620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.211620 (E_RNA)
where:
Base-Base interactions energy: -101.673
where: short stacking energy: -70.008
Base-Backbone interact. energy: 0.440
local terms energy: -83.978223
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -12.632
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: 5, replica: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -214.772611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.772611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.772611 (E_RNA)
where:
Base-Base interactions energy: -113.875
where: short stacking energy: -72.272
Base-Backbone interact. energy: -0.322
local terms energy: -100.575452
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -183.267598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.267598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.267598 (E_RNA)
where:
Base-Base interactions energy: -108.591
where: short stacking energy: -66.437
Base-Backbone interact. energy: -0.179
local terms energy: -74.497983
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -120.428927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.428927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.428927 (E_RNA)
where:
Base-Base interactions energy: -44.474
where: short stacking energy: -39.733
Base-Backbone interact. energy: -0.090
local terms energy: -75.864122
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -113.855529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.855529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.855529 (E_RNA)
where:
Base-Base interactions energy: -37.738
where: short stacking energy: -36.544
Base-Backbone interact. energy: -0.271
local terms energy: -75.846916
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -116.687041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.687041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.687041 (E_RNA)
where:
Base-Base interactions energy: -47.550
where: short stacking energy: -47.550
Base-Backbone interact. energy: -0.295
local terms energy: -68.842037
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -7.037
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: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -90.176026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.176026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.176026 (E_RNA)
where:
Base-Base interactions energy: -21.380
where: short stacking energy: -21.380
Base-Backbone interact. energy: -0.458
local terms energy: -68.338401
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: 5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -262.398890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.398890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.398890 (E_RNA)
where:
Base-Base interactions energy: -154.506
where: short stacking energy: -91.015
Base-Backbone interact. energy: -0.004
local terms energy: -107.889148
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -22.868
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -26.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -242.142898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.142898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.142898 (E_RNA)
where:
Base-Base interactions energy: -137.015
where: short stacking energy: -73.421
Base-Backbone interact. energy: -0.184
local terms energy: -104.943964
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -21.525
flat angles P-C4'-P energy: -16.290
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: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -206.153272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.153272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.153272 (E_RNA)
where:
Base-Base interactions energy: -110.537
where: short stacking energy: -72.887
Base-Backbone interact. energy: -0.191
local terms energy: -95.425013
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -13.511
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: 4, replica: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -189.008504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.008504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.008504 (E_RNA)
where:
Base-Base interactions energy: -91.186
where: short stacking energy: -54.330
Base-Backbone interact. energy: -1.111
local terms energy: -96.710844
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -184.548736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.548736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.548736 (E_RNA)
where:
Base-Base interactions energy: -95.741
where: short stacking energy: -57.580
Base-Backbone interact. energy: -0.149
local terms energy: -88.659662
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -22.396
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -12.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -186.381027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.381027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.381027 (E_RNA)
where:
Base-Base interactions energy: -105.104
where: short stacking energy: -64.929
Base-Backbone interact. energy: -0.285
local terms energy: -80.992370
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -16.278
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: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -113.063141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.063141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.063141 (E_RNA)
where:
Base-Base interactions energy: -32.563
where: short stacking energy: -32.563
Base-Backbone interact. energy: -0.249
local terms energy: -80.250733
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -7.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -109.081167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.081167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.081167 (E_RNA)
where:
Base-Base interactions energy: -40.584
where: short stacking energy: -40.584
Base-Backbone interact. energy: -0.331
local terms energy: -68.166336
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -10.062
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: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -106.791539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.791539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.791539 (E_RNA)
where:
Base-Base interactions energy: -37.762
where: short stacking energy: -37.862
Base-Backbone interact. energy: 0.779
local terms energy: -69.808152
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -89.705627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.705627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.705627 (E_RNA)
where:
Base-Base interactions energy: -36.024
where: short stacking energy: -33.948
Base-Backbone interact. energy: 0.521
local terms energy: -54.202428
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: 3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -273.061843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.061843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.061843 (E_RNA)
where:
Base-Base interactions energy: -159.723
where: short stacking energy: -97.207
Base-Backbone interact. energy: -1.326
local terms energy: -112.012782
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -26.365
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -30.968
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: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -245.890734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.890734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.890734 (E_RNA)
where:
Base-Base interactions energy: -137.655
where: short stacking energy: -88.855
Base-Backbone interact. energy: -0.082
local terms energy: -108.154081
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -17.705
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: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -212.566986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.566986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.566986 (E_RNA)
where:
Base-Base interactions energy: -121.916
where: short stacking energy: -80.178
Base-Backbone interact. energy: -0.076
local terms energy: -90.575070
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -212.603753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.603753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.603753 (E_RNA)
where:
Base-Base interactions energy: -109.945
where: short stacking energy: -71.473
Base-Backbone interact. energy: -0.180
local terms energy: -102.478444
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: -20.830
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: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -191.451982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.451982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.451982 (E_RNA)
where:
Base-Base interactions energy: -104.569
where: short stacking energy: -55.593
Base-Backbone interact. energy: 0.196
local terms energy: -87.078274
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -150.458110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.458110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.458110 (E_RNA)
where:
Base-Base interactions energy: -66.023
where: short stacking energy: -48.677
Base-Backbone interact. energy: -0.233
local terms energy: -84.201571
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -11.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -162.945743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.945743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.945743 (E_RNA)
where:
Base-Base interactions energy: -85.460
where: short stacking energy: -42.477
Base-Backbone interact. energy: -0.275
local terms energy: -77.211385
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -12.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -105.649235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.649235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.649235 (E_RNA)
where:
Base-Base interactions energy: -24.709
where: short stacking energy: -24.709
Base-Backbone interact. energy: -0.387
local terms energy: -80.553306
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -111.814800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.814800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.814800 (E_RNA)
where:
Base-Base interactions energy: -47.832
where: short stacking energy: -25.415
Base-Backbone interact. energy: -0.162
local terms energy: -63.820413
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -20.426
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: 4.015
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: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -90.926824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.926824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.926824 (E_RNA)
where:
Base-Base interactions energy: -38.151
where: short stacking energy: -33.590
Base-Backbone interact. energy: -0.311
local terms energy: -52.465417
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -3.291
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -262.707206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.707206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.707206 (E_RNA)
where:
Base-Base interactions energy: -156.982
where: short stacking energy: -91.740
Base-Backbone interact. energy: -0.228
local terms energy: -105.497332
where:
bonds (distance) C4'-P energy: -21.209
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -26.358
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: 474
Temperature: 0.950000
Total energy: -267.469041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.469041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.469041 (E_RNA)
where:
Base-Base interactions energy: -157.627
where: short stacking energy: -92.003
Base-Backbone interact. energy: -0.712
local terms energy: -109.129611
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -22.181
flat angles C4'-P-C4' energy: -23.239
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -28.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -218.154891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.154891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.154891 (E_RNA)
where:
Base-Base interactions energy: -131.550
where: short stacking energy: -77.231
Base-Backbone interact. energy: -0.230
local terms energy: -86.375032
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -9.969
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: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -197.654185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.654185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.654185 (E_RNA)
where:
Base-Base interactions energy: -112.533
where: short stacking energy: -75.153
Base-Backbone interact. energy: 0.220
local terms energy: -85.340820
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -14.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -163.808457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.808457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.808457 (E_RNA)
where:
Base-Base interactions energy: -85.431
where: short stacking energy: -59.479
Base-Backbone interact. energy: -0.402
local terms energy: -77.975631
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -23.194
flat angles P-C4'-P energy: -4.230
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: 6, replica: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -147.165963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.165963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.165963 (E_RNA)
where:
Base-Base interactions energy: -71.968
where: short stacking energy: -57.422
Base-Backbone interact. energy: -0.236
local terms energy: -74.962091
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -10.928
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: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -165.412958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.412958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.412958 (E_RNA)
where:
Base-Base interactions energy: -87.876
where: short stacking energy: -47.261
Base-Backbone interact. energy: -0.347
local terms energy: -77.190272
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -21.142
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -110.421891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.421891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.421891 (E_RNA)
where:
Base-Base interactions energy: -44.136
where: short stacking energy: -37.703
Base-Backbone interact. energy: -0.250
local terms energy: -66.035852
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -5.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -110.808672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.808672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.808672 (E_RNA)
where:
Base-Base interactions energy: -35.626
where: short stacking energy: -35.278
Base-Backbone interact. energy: -0.178
local terms energy: -75.005429
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -107.329139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.329139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.329139 (E_RNA)
where:
Base-Base interactions energy: -38.655
where: short stacking energy: -36.580
Base-Backbone interact. energy: 1.047
local terms energy: -69.721091
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -16.641
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: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -273.253785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.253785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.253785 (E_RNA)
where:
Base-Base interactions energy: -165.307
where: short stacking energy: -99.075
Base-Backbone interact. energy: -0.155
local terms energy: -107.791515
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -28.070
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: 475
Temperature: 0.950000
Total energy: -247.645261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.645261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.645261 (E_RNA)
where:
Base-Base interactions energy: -143.911
where: short stacking energy: -90.161
Base-Backbone interact. energy: 0.279
local terms energy: -104.013782
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -14.379
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: 3, replica: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -215.098842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.098842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.098842 (E_RNA)
where:
Base-Base interactions energy: -124.197
where: short stacking energy: -82.515
Base-Backbone interact. energy: -0.033
local terms energy: -90.869063
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -21.936
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -204.291121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.291121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.291121 (E_RNA)
where:
Base-Base interactions energy: -117.296
where: short stacking energy: -75.994
Base-Backbone interact. energy: -0.404
local terms energy: -86.591314
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -139.615313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.615313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.615313 (E_RNA)
where:
Base-Base interactions energy: -58.208
where: short stacking energy: -50.613
Base-Backbone interact. energy: 1.529
local terms energy: -82.936782
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -22.311
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -9.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -177.565402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.565402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.565402 (E_RNA)
where:
Base-Base interactions energy: -99.205
where: short stacking energy: -58.519
Base-Backbone interact. energy: -0.581
local terms energy: -77.779537
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -11.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -134.622375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.622375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.622375 (E_RNA)
where:
Base-Base interactions energy: -50.289
where: short stacking energy: -39.047
Base-Backbone interact. energy: -0.149
local terms energy: -84.184843
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -19.162
tors. eta vs tors. theta energy: -9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -106.320721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.320721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.320721 (E_RNA)
where:
Base-Base interactions energy: -42.697
where: short stacking energy: -42.697
Base-Backbone interact. energy: 1.632
local terms energy: -65.256177
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -107.771544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.771544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.771544 (E_RNA)
where:
Base-Base interactions energy: -37.044
where: short stacking energy: -28.463
Base-Backbone interact. energy: -0.473
local terms energy: -70.255057
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -89.929141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.929141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.929141 (E_RNA)
where:
Base-Base interactions energy: -28.648
where: short stacking energy: -20.841
Base-Backbone interact. energy: 0.376
local terms energy: -61.657572
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -7.851
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: 0.720
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: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -251.570854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.570854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.570854 (E_RNA)
where:
Base-Base interactions energy: -150.706
where: short stacking energy: -86.707
Base-Backbone interact. energy: -0.106
local terms energy: -100.758551
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -23.268
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: 2, replica: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -257.525052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.525052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.525052 (E_RNA)
where:
Base-Base interactions energy: -149.883
where: short stacking energy: -90.618
Base-Backbone interact. energy: -0.054
local terms energy: -107.587894
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -27.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -203.301701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.301701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.301701 (E_RNA)
where:
Base-Base interactions energy: -116.702
where: short stacking energy: -74.905
Base-Backbone interact. energy: -0.103
local terms energy: -86.496027
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -20.958
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: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -208.699854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.699854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.699854 (E_RNA)
where:
Base-Base interactions energy: -113.829
where: short stacking energy: -68.688
Base-Backbone interact. energy: -0.271
local terms energy: -94.599847
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -20.585
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: 5, replica: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -191.757817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.757817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.757817 (E_RNA)
where:
Base-Base interactions energy: -104.761
where: short stacking energy: -63.657
Base-Backbone interact. energy: -0.376
local terms energy: -86.620330
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -118.970261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.970261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.970261 (E_RNA)
where:
Base-Base interactions energy: -40.572
where: short stacking energy: -40.423
Base-Backbone interact. energy: 0.476
local terms energy: -78.874209
where:
bonds (distance) C4'-P energy: -21.556
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -127.073931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.073931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.073931 (E_RNA)
where:
Base-Base interactions energy: -51.859
where: short stacking energy: -46.991
Base-Backbone interact. energy: -0.330
local terms energy: -74.884947
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -9.861
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: 476
Temperature: 1.250000
Total energy: -101.637254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.637254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.637254 (E_RNA)
where:
Base-Base interactions energy: -38.542
where: short stacking energy: -38.542
Base-Backbone interact. energy: -0.212
local terms energy: -62.883526
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: 5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -109.909570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.909570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.909570 (E_RNA)
where:
Base-Base interactions energy: -39.248
where: short stacking energy: -39.248
Base-Backbone interact. energy: -0.637
local terms energy: -70.024807
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -101.635176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.635176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.635176 (E_RNA)
where:
Base-Base interactions energy: -41.655
where: short stacking energy: -36.686
Base-Backbone interact. energy: -0.349
local terms energy: -59.632042
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -251.745569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.745569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.745569 (E_RNA)
where:
Base-Base interactions energy: -148.639
where: short stacking energy: -85.795
Base-Backbone interact. energy: 0.651
local terms energy: -103.757835
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -26.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -269.639130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.639130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.639130 (E_RNA)
where:
Base-Base interactions energy: -165.447
where: short stacking energy: -97.105
Base-Backbone interact. energy: 0.165
local terms energy: -104.357941
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -28.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -214.500261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.500261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.500261 (E_RNA)
where:
Base-Base interactions energy: -116.022
where: short stacking energy: -72.264
Base-Backbone interact. energy: -0.318
local terms energy: -98.160000
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -198.947665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.947665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.947665 (E_RNA)
where:
Base-Base interactions energy: -101.963
where: short stacking energy: -65.462
Base-Backbone interact. energy: -0.240
local terms energy: -96.744586
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -215.492086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.492086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.492086 (E_RNA)
where:
Base-Base interactions energy: -118.286
where: short stacking energy: -72.775
Base-Backbone interact. energy: -0.210
local terms energy: -96.995577
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -23.510
flat angles P-C4'-P energy: -14.010
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: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -111.600466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.600466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.600466 (E_RNA)
where:
Base-Base interactions energy: -47.695
where: short stacking energy: -43.623
Base-Backbone interact. energy: -0.353
local terms energy: -63.552691
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -109.153823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.153823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.153823 (E_RNA)
where:
Base-Base interactions energy: -32.860
where: short stacking energy: -30.645
Base-Backbone interact. energy: -0.040
local terms energy: -76.254498
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -119.179802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.179802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.179802 (E_RNA)
where:
Base-Base interactions energy: -52.423
where: short stacking energy: -51.863
Base-Backbone interact. energy: -0.142
local terms energy: -66.614941
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -9.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -97.549447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.549447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.549447 (E_RNA)
where:
Base-Base interactions energy: -33.922
where: short stacking energy: -33.883
Base-Backbone interact. energy: -0.153
local terms energy: -63.473762
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -5.241
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: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -98.754550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.754550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.754550 (E_RNA)
where:
Base-Base interactions energy: -35.419
where: short stacking energy: -35.419
Base-Backbone interact. energy: 0.888
local terms energy: -64.223026
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -3.954
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: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -270.050012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.050012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.050012 (E_RNA)
where:
Base-Base interactions energy: -155.006
where: short stacking energy: -99.008
Base-Backbone interact. energy: -0.873
local terms energy: -114.170616
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -20.082
flat angles C4'-P-C4' energy: -23.175
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -33.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -244.797712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.797712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.797712 (E_RNA)
where:
Base-Base interactions energy: -138.481
where: short stacking energy: -83.154
Base-Backbone interact. energy: -0.210
local terms energy: -106.107137
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -27.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -214.856171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.856171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.856171 (E_RNA)
where:
Base-Base interactions energy: -118.160
where: short stacking energy: -71.821
Base-Backbone interact. energy: -0.694
local terms energy: -96.002310
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -23.563
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -21.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -202.045571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.045571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.045571 (E_RNA)
where:
Base-Base interactions energy: -117.495
where: short stacking energy: -66.280
Base-Backbone interact. energy: -0.097
local terms energy: -84.453811
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -206.601877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.601877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.601877 (E_RNA)
where:
Base-Base interactions energy: -122.593
where: short stacking energy: -64.418
Base-Backbone interact. energy: -0.141
local terms energy: -83.868478
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -10.863
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: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -129.939342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.939342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.939342 (E_RNA)
where:
Base-Base interactions energy: -44.809
where: short stacking energy: -44.809
Base-Backbone interact. energy: -0.051
local terms energy: -85.078868
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -18.571
tors. eta vs tors. theta energy: -7.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -130.564941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.564941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.564941 (E_RNA)
where:
Base-Base interactions energy: -51.041
where: short stacking energy: -51.041
Base-Backbone interact. energy: -0.188
local terms energy: -79.335843
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: -9.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -116.474583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.474583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.474583 (E_RNA)
where:
Base-Base interactions energy: -45.414
where: short stacking energy: -45.484
Base-Backbone interact. energy: -0.211
local terms energy: -70.850185
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -101.994287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.994287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.994287 (E_RNA)
where:
Base-Base interactions energy: -27.817
where: short stacking energy: -27.483
Base-Backbone interact. energy: 0.206
local terms energy: -74.383693
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -103.322760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.322760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.322760 (E_RNA)
where:
Base-Base interactions energy: -42.646
where: short stacking energy: -28.330
Base-Backbone interact. energy: -0.418
local terms energy: -60.259385
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: 1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -254.627165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.627165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.627165 (E_RNA)
where:
Base-Base interactions energy: -147.134
where: short stacking energy: -93.307
Base-Backbone interact. energy: -0.030
local terms energy: -107.463641
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -18.263
tors. eta vs tors. theta energy: -26.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -223.529218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.529218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.529218 (E_RNA)
where:
Base-Base interactions energy: -128.527
where: short stacking energy: -79.817
Base-Backbone interact. energy: -0.086
local terms energy: -94.916195
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -22.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -255.033354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.033354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.033354 (E_RNA)
where:
Base-Base interactions energy: -152.328
where: short stacking energy: -89.278
Base-Backbone interact. energy: -0.002
local terms energy: -102.703552
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -29.535
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: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -238.319381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.319381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.319381 (E_RNA)
where:
Base-Base interactions energy: -144.516
where: short stacking energy: -94.884
Base-Backbone interact. energy: -0.104
local terms energy: -93.699291
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -29.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -185.020624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.020624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.020624 (E_RNA)
where:
Base-Base interactions energy: -99.423
where: short stacking energy: -53.093
Base-Backbone interact. energy: 0.085
local terms energy: -85.682104
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -22.399
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -14.281
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: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -133.641686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.641686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.641686 (E_RNA)
where:
Base-Base interactions energy: -55.680
where: short stacking energy: -55.594
Base-Backbone interact. energy: -0.127
local terms energy: -77.834999
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -122.626979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.626979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.626979 (E_RNA)
where:
Base-Base interactions energy: -49.292
where: short stacking energy: -46.171
Base-Backbone interact. energy: -0.615
local terms energy: -72.720002
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -10.786
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: 8, replica: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -107.074040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.074040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.074040 (E_RNA)
where:
Base-Base interactions energy: -34.875
where: short stacking energy: -26.491
Base-Backbone interact. energy: 0.472
local terms energy: -72.670626
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: 1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -112.479881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.479881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.479881 (E_RNA)
where:
Base-Base interactions energy: -43.471
where: short stacking energy: -43.471
Base-Backbone interact. energy: 0.353
local terms energy: -69.361739
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -107.050930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.050930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.050930 (E_RNA)
where:
Base-Base interactions energy: -38.942
where: short stacking energy: -38.942
Base-Backbone interact. energy: -0.364
local terms energy: -67.744842
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -265.664765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.664765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.664765 (E_RNA)
where:
Base-Base interactions energy: -152.357
where: short stacking energy: -92.360
Base-Backbone interact. energy: -0.099
local terms energy: -113.208436
where:
bonds (distance) C4'-P energy: -23.943
bonds (distance) P-C4' energy: -24.539
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -27.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -230.443635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.443635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.443635 (E_RNA)
where:
Base-Base interactions energy: -129.694
where: short stacking energy: -86.398
Base-Backbone interact. energy: -0.648
local terms energy: -100.101610
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -21.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -209.213936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.213936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.213936 (E_RNA)
where:
Base-Base interactions energy: -116.876
where: short stacking energy: -73.789
Base-Backbone interact. energy: -1.033
local terms energy: -91.305001
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -241.306242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.306242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.306242 (E_RNA)
where:
Base-Base interactions energy: -143.755
where: short stacking energy: -90.090
Base-Backbone interact. energy: -0.363
local terms energy: -97.188060
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -22.261
flat angles P-C4'-P energy: -14.939
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: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -186.014369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.014369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.014369 (E_RNA)
where:
Base-Base interactions energy: -105.148
where: short stacking energy: -66.452
Base-Backbone interact. energy: -0.083
local terms energy: -80.783042
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -16.793
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: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -116.894340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.894340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.894340 (E_RNA)
where:
Base-Base interactions energy: -43.116
where: short stacking energy: -42.776
Base-Backbone interact. energy: 1.204
local terms energy: -74.982658
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -11.449
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: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -115.643465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.643465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.643465 (E_RNA)
where:
Base-Base interactions energy: -40.362
where: short stacking energy: -40.362
Base-Backbone interact. energy: -0.144
local terms energy: -75.137112
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -15.593
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: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -108.154454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.154454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.154454 (E_RNA)
where:
Base-Base interactions energy: -40.121
where: short stacking energy: -38.059
Base-Backbone interact. energy: -0.260
local terms energy: -67.773137
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -5.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -109.529331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.529331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.529331 (E_RNA)
where:
Base-Base interactions energy: -49.048
where: short stacking energy: -43.740
Base-Backbone interact. energy: -0.867
local terms energy: -59.614511
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -2.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -101.744960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.744960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.744960 (E_RNA)
where:
Base-Base interactions energy: -32.228
where: short stacking energy: -26.260
Base-Backbone interact. energy: -1.015
local terms energy: -68.502582
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: 0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -268.680170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.680170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.680170 (E_RNA)
where:
Base-Base interactions energy: -154.260
where: short stacking energy: -100.542
Base-Backbone interact. energy: -0.267
local terms energy: -114.153342
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -32.111
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: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -216.496192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.496192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.496192 (E_RNA)
where:
Base-Base interactions energy: -127.090
where: short stacking energy: -74.411
Base-Backbone interact. energy: -0.690
local terms energy: -88.716650
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -18.868
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: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -220.906857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.906857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.906857 (E_RNA)
where:
Base-Base interactions energy: -120.850
where: short stacking energy: -76.073
Base-Backbone interact. energy: -0.050
local terms energy: -100.006518
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -22.113
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -221.091909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.091909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.091909 (E_RNA)
where:
Base-Base interactions energy: -131.198
where: short stacking energy: -78.524
Base-Backbone interact. energy: 0.622
local terms energy: -90.515765
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -22.358
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -175.762138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.762138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.762138 (E_RNA)
where:
Base-Base interactions energy: -87.695
where: short stacking energy: -50.537
Base-Backbone interact. energy: -0.447
local terms energy: -87.619796
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -19.582
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -123.168841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.168841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.168841 (E_RNA)
where:
Base-Base interactions energy: -41.502
where: short stacking energy: -38.458
Base-Backbone interact. energy: -0.240
local terms energy: -81.427323
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -10.566
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: 7, replica: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -118.154639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.154639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.154639 (E_RNA)
where:
Base-Base interactions energy: -36.695
where: short stacking energy: -35.836
Base-Backbone interact. energy: 0.205
local terms energy: -81.664050
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -12.591
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: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -118.354202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.354202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.354202 (E_RNA)
where:
Base-Base interactions energy: -41.606
where: short stacking energy: -38.684
Base-Backbone interact. energy: 1.330
local terms energy: -78.077491
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -96.888486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.888486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.888486 (E_RNA)
where:
Base-Base interactions energy: -46.554
where: short stacking energy: -46.554
Base-Backbone interact. energy: -0.373
local terms energy: -49.960736
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -3.155
tors. eta vs tors. theta energy: -3.360
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: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -87.644681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.644681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.644681 (E_RNA)
where:
Base-Base interactions energy: -27.574
where: short stacking energy: -26.287
Base-Backbone interact. energy: -0.330
local terms energy: -59.740457
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: 1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -264.663233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.663233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.663233 (E_RNA)
where:
Base-Base interactions energy: -153.897
where: short stacking energy: -85.187
Base-Backbone interact. energy: -0.180
local terms energy: -110.586903
where:
bonds (distance) C4'-P energy: -24.876
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -23.188
flat angles P-C4'-P energy: -17.656
tors. eta vs tors. theta energy: -24.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -222.830016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.830016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.830016 (E_RNA)
where:
Base-Base interactions energy: -126.879
where: short stacking energy: -64.114
Base-Backbone interact. energy: -1.330
local terms energy: -94.620945
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -229.094670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.094670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.094670 (E_RNA)
where:
Base-Base interactions energy: -139.022
where: short stacking energy: -76.522
Base-Backbone interact. energy: -0.320
local terms energy: -89.752404
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -20.073
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: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -230.701736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.701736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.701736 (E_RNA)
where:
Base-Base interactions energy: -120.865
where: short stacking energy: -78.736
Base-Backbone interact. energy: -0.537
local terms energy: -109.299211
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -24.219
flat angles P-C4'-P energy: -15.898
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: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -184.744494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.744494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.744494 (E_RNA)
where:
Base-Base interactions energy: -99.381
where: short stacking energy: -60.189
Base-Backbone interact. energy: -0.350
local terms energy: -85.012869
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -24.275
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -142.994298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.994298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.994298 (E_RNA)
where:
Base-Base interactions energy: -60.942
where: short stacking energy: -57.080
Base-Backbone interact. energy: -0.499
local terms energy: -81.553535
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -125.563419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.563419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.563419 (E_RNA)
where:
Base-Base interactions energy: -52.998
where: short stacking energy: -40.035
Base-Backbone interact. energy: -0.134
local terms energy: -72.431835
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -106.211281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.211281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.211281 (E_RNA)
where:
Base-Base interactions energy: -40.814
where: short stacking energy: -39.857
Base-Backbone interact. energy: -0.114
local terms energy: -65.283296
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -8.446
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: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -109.734292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.734292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.734292 (E_RNA)
where:
Base-Base interactions energy: -34.759
where: short stacking energy: -33.777
Base-Backbone interact. energy: -0.042
local terms energy: -74.933969
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -14.568
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: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -107.298549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.298549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.298549 (E_RNA)
where:
Base-Base interactions energy: -42.317
where: short stacking energy: -26.252
Base-Backbone interact. energy: -0.178
local terms energy: -64.803225
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: 3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -261.817345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.817345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.817345 (E_RNA)
where:
Base-Base interactions energy: -154.080
where: short stacking energy: -99.039
Base-Backbone interact. energy: -0.097
local terms energy: -107.640568
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -29.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -242.039263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.039263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.039263 (E_RNA)
where:
Base-Base interactions energy: -139.550
where: short stacking energy: -91.920
Base-Backbone interact. energy: -0.053
local terms energy: -102.437169
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -25.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -209.977001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.977001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.977001 (E_RNA)
where:
Base-Base interactions energy: -125.722
where: short stacking energy: -77.377
Base-Backbone interact. energy: -0.984
local terms energy: -83.271271
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -8.453
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: 4, replica: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -216.371456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.371456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.371456 (E_RNA)
where:
Base-Base interactions energy: -120.067
where: short stacking energy: -75.769
Base-Backbone interact. energy: -0.127
local terms energy: -96.177762
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -20.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -188.722146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.722146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.722146 (E_RNA)
where:
Base-Base interactions energy: -97.065
where: short stacking energy: -57.634
Base-Backbone interact. energy: -0.132
local terms energy: -91.525225
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -12.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -134.433984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.433984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.433984 (E_RNA)
where:
Base-Base interactions energy: -45.529
where: short stacking energy: -38.473
Base-Backbone interact. energy: -0.098
local terms energy: -88.807268
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -115.364460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.364460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.364460 (E_RNA)
where:
Base-Base interactions energy: -46.770
where: short stacking energy: -38.995
Base-Backbone interact. energy: -0.149
local terms energy: -68.445213
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -109.005234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.005234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.005234 (E_RNA)
where:
Base-Base interactions energy: -42.222
where: short stacking energy: -36.019
Base-Backbone interact. energy: -0.427
local terms energy: -66.356236
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -112.754826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.754826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.754826 (E_RNA)
where:
Base-Base interactions energy: -47.015
where: short stacking energy: -37.098
Base-Backbone interact. energy: -0.338
local terms energy: -65.402249
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -99.742752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.742752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.742752 (E_RNA)
where:
Base-Base interactions energy: -27.368
where: short stacking energy: -25.383
Base-Backbone interact. energy: -0.271
local terms energy: -72.103325
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -3.151
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: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -249.021787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.021787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.021787 (E_RNA)
where:
Base-Base interactions energy: -145.882
where: short stacking energy: -87.759
Base-Backbone interact. energy: -1.010
local terms energy: -102.129675
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -23.520
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -22.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -240.856715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.856715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.856715 (E_RNA)
where:
Base-Base interactions energy: -131.852
where: short stacking energy: -75.426
Base-Backbone interact. energy: -0.610
local terms energy: -108.394442
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -25.942
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: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -211.386460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.386460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.386460 (E_RNA)
where:
Base-Base interactions energy: -116.581
where: short stacking energy: -63.130
Base-Backbone interact. energy: -0.163
local terms energy: -94.642518
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -24.336
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -206.956016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.956016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.956016 (E_RNA)
where:
Base-Base interactions energy: -116.491
where: short stacking energy: -68.964
Base-Backbone interact. energy: -0.186
local terms energy: -90.279347
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -15.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -212.670209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.670209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.670209 (E_RNA)
where:
Base-Base interactions energy: -119.918
where: short stacking energy: -76.618
Base-Backbone interact. energy: -0.018
local terms energy: -92.734801
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -23.026
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: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -127.032765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.032765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.032765 (E_RNA)
where:
Base-Base interactions energy: -46.742
where: short stacking energy: -46.009
Base-Backbone interact. energy: -0.135
local terms energy: -80.156326
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -147.584867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.584867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.584867 (E_RNA)
where:
Base-Base interactions energy: -69.934
where: short stacking energy: -53.391
Base-Backbone interact. energy: 1.064
local terms energy: -78.715478
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -112.980176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.980176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.980176 (E_RNA)
where:
Base-Base interactions energy: -49.149
where: short stacking energy: -37.299
Base-Backbone interact. energy: -0.281
local terms energy: -63.549411
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: 5.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -100.636079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.636079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.636079 (E_RNA)
where:
Base-Base interactions energy: -33.616
where: short stacking energy: -31.450
Base-Backbone interact. energy: -1.781
local terms energy: -65.238806
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -0.442
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: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -96.991527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.991527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.991527 (E_RNA)
where:
Base-Base interactions energy: -40.631
where: short stacking energy: -32.314
Base-Backbone interact. energy: -0.724
local terms energy: -55.636712
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -4.507
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -257.608790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.608790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.608790 (E_RNA)
where:
Base-Base interactions energy: -146.776
where: short stacking energy: -89.987
Base-Backbone interact. energy: -0.062
local terms energy: -110.770278
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -27.054
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: 485
Temperature: 0.950000
Total energy: -246.037320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.037320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.037320 (E_RNA)
where:
Base-Base interactions energy: -148.743
where: short stacking energy: -86.775
Base-Backbone interact. energy: -0.069
local terms energy: -97.225669
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -10.004
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: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -198.466055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.466055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.466055 (E_RNA)
where:
Base-Base interactions energy: -112.711
where: short stacking energy: -65.516
Base-Backbone interact. energy: -0.042
local terms energy: -85.713239
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -220.223854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.223854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.223854 (E_RNA)
where:
Base-Base interactions energy: -125.175
where: short stacking energy: -87.458
Base-Backbone interact. energy: 0.046
local terms energy: -95.094426
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -24.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -181.403491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.403491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.403491 (E_RNA)
where:
Base-Base interactions energy: -105.796
where: short stacking energy: -57.821
Base-Backbone interact. energy: -0.374
local terms energy: -75.233407
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -132.343877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.343877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.343877 (E_RNA)
where:
Base-Base interactions energy: -50.965
where: short stacking energy: -50.965
Base-Backbone interact. energy: -0.250
local terms energy: -81.128189
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -12.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -123.667108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.667108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.667108 (E_RNA)
where:
Base-Base interactions energy: -50.385
where: short stacking energy: -41.047
Base-Backbone interact. energy: 0.824
local terms energy: -74.106218
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -9.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -115.642843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.642843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.642843 (E_RNA)
where:
Base-Base interactions energy: -33.385
where: short stacking energy: -33.385
Base-Backbone interact. energy: -0.253
local terms energy: -82.004181
where:
bonds (distance) C4'-P energy: -23.436
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -98.012614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.012614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.012614 (E_RNA)
where:
Base-Base interactions energy: -32.837
where: short stacking energy: -20.129
Base-Backbone interact. energy: -0.161
local terms energy: -65.014633
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -20.604
flat angles P-C4'-P energy: -2.249
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -103.368059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.368059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.368059 (E_RNA)
where:
Base-Base interactions energy: -41.560
where: short stacking energy: -41.560
Base-Backbone interact. energy: -0.024
local terms energy: -61.784111
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -8.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -262.835301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.835301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.835301 (E_RNA)
where:
Base-Base interactions energy: -157.460
where: short stacking energy: -99.135
Base-Backbone interact. energy: -0.054
local terms energy: -105.321219
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -20.362
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -27.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -239.198253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.198253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.198253 (E_RNA)
where:
Base-Base interactions energy: -139.630
where: short stacking energy: -81.755
Base-Backbone interact. energy: -0.906
local terms energy: -98.662779
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -22.167
flat angles P-C4'-P energy: -14.682
tors. eta vs tors. theta energy: -23.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -225.392100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.392100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.392100 (E_RNA)
where:
Base-Base interactions energy: -121.262
where: short stacking energy: -75.148
Base-Backbone interact. energy: -0.109
local terms energy: -104.020879
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -24.198
flat angles P-C4'-P energy: -14.459
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: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -203.881792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.881792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.881792 (E_RNA)
where:
Base-Base interactions energy: -107.081
where: short stacking energy: -53.933
Base-Backbone interact. energy: -0.673
local terms energy: -96.128120
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -21.891
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -183.027363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.027363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.027363 (E_RNA)
where:
Base-Base interactions energy: -103.944
where: short stacking energy: -65.540
Base-Backbone interact. energy: -0.829
local terms energy: -78.254950
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -133.158838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.158838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.158838 (E_RNA)
where:
Base-Base interactions energy: -54.845
where: short stacking energy: -51.295
Base-Backbone interact. energy: -0.379
local terms energy: -77.934841
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -23.840
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -124.227669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.227669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.227669 (E_RNA)
where:
Base-Base interactions energy: -44.022
where: short stacking energy: -35.172
Base-Backbone interact. energy: 0.027
local terms energy: -80.232374
where:
bonds (distance) C4'-P energy: -20.975
bonds (distance) P-C4' energy: -20.525
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -10.834
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: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -110.272559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.272559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.272559 (E_RNA)
where:
Base-Base interactions energy: -40.229
where: short stacking energy: -37.224
Base-Backbone interact. energy: -0.116
local terms energy: -69.926842
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -95.526457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.526457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.526457 (E_RNA)
where:
Base-Base interactions energy: -27.729
where: short stacking energy: -23.507
Base-Backbone interact. energy: 1.260
local terms energy: -69.057425
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: 0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -101.163273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.163273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.163273 (E_RNA)
where:
Base-Base interactions energy: -41.110
where: short stacking energy: -35.053
Base-Backbone interact. energy: -1.117
local terms energy: -58.936111
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: 1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -279.183174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.183174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.183174 (E_RNA)
where:
Base-Base interactions energy: -161.866
where: short stacking energy: -107.025
Base-Backbone interact. energy: -0.002
local terms energy: -117.315680
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -24.582
flat angles C4'-P-C4' energy: -23.113
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -34.348
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: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -263.113455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.113455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.113455 (E_RNA)
where:
Base-Base interactions energy: -156.839
where: short stacking energy: -100.174
Base-Backbone interact. energy: -0.097
local terms energy: -106.177449
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -16.170
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: 3, replica: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -240.575871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.575871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.575871 (E_RNA)
where:
Base-Base interactions energy: -140.255
where: short stacking energy: -81.479
Base-Backbone interact. energy: -0.222
local terms energy: -100.098595
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -22.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -204.655609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.655609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.655609 (E_RNA)
where:
Base-Base interactions energy: -110.792
where: short stacking energy: -70.093
Base-Backbone interact. energy: -0.125
local terms energy: -93.738761
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -24.392
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -203.751957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.751957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.751957 (E_RNA)
where:
Base-Base interactions energy: -118.643
where: short stacking energy: -78.809
Base-Backbone interact. energy: -0.036
local terms energy: -85.072191
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -130.199028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.199028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.199028 (E_RNA)
where:
Base-Base interactions energy: -52.718
where: short stacking energy: -38.670
Base-Backbone interact. energy: -0.367
local terms energy: -77.113991
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -127.346632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.346632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.346632 (E_RNA)
where:
Base-Base interactions energy: -52.846
where: short stacking energy: -45.518
Base-Backbone interact. energy: -0.350
local terms energy: -74.151147
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -105.463020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.463020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.463020 (E_RNA)
where:
Base-Base interactions energy: -38.068
where: short stacking energy: -34.696
Base-Backbone interact. energy: -0.123
local terms energy: -67.272485
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -115.652075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.652075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.652075 (E_RNA)
where:
Base-Base interactions energy: -40.772
where: short stacking energy: -40.772
Base-Backbone interact. energy: -0.331
local terms energy: -74.548864
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -113.269392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.269392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.269392 (E_RNA)
where:
Base-Base interactions energy: -41.877
where: short stacking energy: -40.824
Base-Backbone interact. energy: -0.185
local terms energy: -71.206905
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -9.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -269.325461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.325461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.325461 (E_RNA)
where:
Base-Base interactions energy: -161.595
where: short stacking energy: -98.540
Base-Backbone interact. energy: -0.005
local terms energy: -107.725036
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -21.159
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -28.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -254.768617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.768617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.768617 (E_RNA)
where:
Base-Base interactions energy: -146.048
where: short stacking energy: -90.544
Base-Backbone interact. energy: -0.039
local terms energy: -108.681770
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -23.694
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: -25.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -235.250015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.250015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.250015 (E_RNA)
where:
Base-Base interactions energy: -136.314
where: short stacking energy: -82.515
Base-Backbone interact. energy: -0.115
local terms energy: -98.820904
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -21.965
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -24.008
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: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -201.301193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.301193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.301193 (E_RNA)
where:
Base-Base interactions energy: -112.597
where: short stacking energy: -72.769
Base-Backbone interact. energy: -0.119
local terms energy: -88.585035
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -201.838134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.838134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.838134 (E_RNA)
where:
Base-Base interactions energy: -122.014
where: short stacking energy: -72.006
Base-Backbone interact. energy: -0.120
local terms energy: -79.704245
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -10.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -116.886181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.886181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.886181 (E_RNA)
where:
Base-Base interactions energy: -50.424
where: short stacking energy: -38.328
Base-Backbone interact. energy: -0.277
local terms energy: -66.185305
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -0.323
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -120.040063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.040063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.040063 (E_RNA)
where:
Base-Base interactions energy: -37.671
where: short stacking energy: -37.671
Base-Backbone interact. energy: -0.139
local terms energy: -82.229844
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -122.421459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.421459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.421459 (E_RNA)
where:
Base-Base interactions energy: -41.868
where: short stacking energy: -41.325
Base-Backbone interact. energy: 1.577
local terms energy: -82.130534
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -9.577
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: 9, replica: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -114.966692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.966692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.966692 (E_RNA)
where:
Base-Base interactions energy: -35.852
where: short stacking energy: -35.852
Base-Backbone interact. energy: -0.122
local terms energy: -78.992806
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -23.069
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -98.602400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.602400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.602400 (E_RNA)
where:
Base-Base interactions energy: -37.953
where: short stacking energy: -36.046
Base-Backbone interact. energy: -0.373
local terms energy: -60.277025
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -21.282
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -6.452
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: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -246.925102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.925102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.925102 (E_RNA)
where:
Base-Base interactions energy: -149.542
where: short stacking energy: -82.208
Base-Backbone interact. energy: 0.239
local terms energy: -97.621499
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -251.823020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.823020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.823020 (E_RNA)
where:
Base-Base interactions energy: -148.152
where: short stacking energy: -96.827
Base-Backbone interact. energy: -0.007
local terms energy: -103.663930
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -30.631
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: 3, replica: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -245.124668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.124668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.124668 (E_RNA)
where:
Base-Base interactions energy: -138.513
where: short stacking energy: -84.973
Base-Backbone interact. energy: 1.194
local terms energy: -107.806421
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -29.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -199.087609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.087609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.087609 (E_RNA)
where:
Base-Base interactions energy: -113.809
where: short stacking energy: -75.222
Base-Backbone interact. energy: -0.073
local terms energy: -85.205399
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -19.470
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: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -204.858856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.858856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.858856 (E_RNA)
where:
Base-Base interactions energy: -119.040
where: short stacking energy: -67.830
Base-Backbone interact. energy: -0.122
local terms energy: -85.696418
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -22.863
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -132.665035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.665035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.665035 (E_RNA)
where:
Base-Base interactions energy: -46.460
where: short stacking energy: -46.560
Base-Backbone interact. energy: -0.142
local terms energy: -86.063443
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -11.737
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: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -153.578575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.578575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.578575 (E_RNA)
where:
Base-Base interactions energy: -79.225
where: short stacking energy: -51.547
Base-Backbone interact. energy: 0.166
local terms energy: -74.519711
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -11.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -106.668289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.668289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.668289 (E_RNA)
where:
Base-Base interactions energy: -35.971
where: short stacking energy: -33.149
Base-Backbone interact. energy: 2.271
local terms energy: -72.967592
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -4.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -112.705733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.705733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.705733 (E_RNA)
where:
Base-Base interactions energy: -40.152
where: short stacking energy: -40.152
Base-Backbone interact. energy: -0.080
local terms energy: -72.474207
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -8.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -115.957861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.957861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.957861 (E_RNA)
where:
Base-Base interactions energy: -52.860
where: short stacking energy: -29.339
Base-Backbone interact. energy: -0.367
local terms energy: -62.731360
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -6.687
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: 490
Temperature: 0.900000
Total energy: -246.810816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.810816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.810816 (E_RNA)
where:
Base-Base interactions energy: -147.417
where: short stacking energy: -84.522
Base-Backbone interact. energy: -0.040
local terms energy: -99.353745
where:
bonds (distance) C4'-P energy: -23.550
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -16.150
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -228.952020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.952020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.952020 (E_RNA)
where:
Base-Base interactions energy: -126.034
where: short stacking energy: -82.229
Base-Backbone interact. energy: -0.012
local terms energy: -102.906717
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -23.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -249.082913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.082913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.082913 (E_RNA)
where:
Base-Base interactions energy: -143.812
where: short stacking energy: -91.888
Base-Backbone interact. energy: -0.018
local terms energy: -105.252554
where:
bonds (distance) C4'-P energy: -18.374
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -12.436
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: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -202.295093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.295093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.295093 (E_RNA)
where:
Base-Base interactions energy: -105.398
where: short stacking energy: -67.678
Base-Backbone interact. energy: 0.314
local terms energy: -97.211134
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -12.958
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: 5, replica: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -194.339960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.339960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.339960 (E_RNA)
where:
Base-Base interactions energy: -112.725
where: short stacking energy: -66.471
Base-Backbone interact. energy: -0.283
local terms energy: -81.331799
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -123.403884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.403884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.403884 (E_RNA)
where:
Base-Base interactions energy: -34.139
where: short stacking energy: -34.139
Base-Backbone interact. energy: -0.525
local terms energy: -88.739264
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -4.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -149.935833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.935833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.935833 (E_RNA)
where:
Base-Base interactions energy: -78.254
where: short stacking energy: -45.303
Base-Backbone interact. energy: -0.095
local terms energy: -71.587034
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -103.191521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.191521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.191521 (E_RNA)
where:
Base-Base interactions energy: -36.749
where: short stacking energy: -35.471
Base-Backbone interact. energy: -0.106
local terms energy: -66.336419
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -107.483677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.483677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.483677 (E_RNA)
where:
Base-Base interactions energy: -45.629
where: short stacking energy: -44.895
Base-Backbone interact. energy: -0.230
local terms energy: -61.624747
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -110.384122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.384122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.384122 (E_RNA)
where:
Base-Base interactions energy: -50.452
where: short stacking energy: -33.922
Base-Backbone interact. energy: -0.587
local terms energy: -59.345285
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -247.285755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.285755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.285755 (E_RNA)
where:
Base-Base interactions energy: -154.521
where: short stacking energy: -85.365
Base-Backbone interact. energy: -0.086
local terms energy: -92.678655
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -238.630086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.630086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.630086 (E_RNA)
where:
Base-Base interactions energy: -136.940
where: short stacking energy: -88.391
Base-Backbone interact. energy: -0.004
local terms energy: -101.685669
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -17.229
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: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -221.159595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.159595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.159595 (E_RNA)
where:
Base-Base interactions energy: -126.297
where: short stacking energy: -79.325
Base-Backbone interact. energy: -0.216
local terms energy: -94.646057
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -23.527
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -22.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -199.167166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.167166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.167166 (E_RNA)
where:
Base-Base interactions energy: -112.213
where: short stacking energy: -74.602
Base-Backbone interact. energy: 1.190
local terms energy: -88.143441
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -22.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -192.296074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.296074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.296074 (E_RNA)
where:
Base-Base interactions energy: -96.455
where: short stacking energy: -58.693
Base-Backbone interact. energy: -0.106
local terms energy: -95.734881
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -22.053
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -142.781776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.781776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.781776 (E_RNA)
where:
Base-Base interactions energy: -61.590
where: short stacking energy: -46.304
Base-Backbone interact. energy: 1.113
local terms energy: -82.304811
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -10.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -126.365348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.365348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.365348 (E_RNA)
where:
Base-Base interactions energy: -53.652
where: short stacking energy: -53.652
Base-Backbone interact. energy: -0.163
local terms energy: -72.550834
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -12.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -121.694006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.694006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.694006 (E_RNA)
where:
Base-Base interactions energy: -54.247
where: short stacking energy: -39.901
Base-Backbone interact. energy: -0.285
local terms energy: -67.161318
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -96.677421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.677421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.677421 (E_RNA)
where:
Base-Base interactions energy: -25.061
where: short stacking energy: -22.103
Base-Backbone interact. energy: -0.250
local terms energy: -71.365976
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: 0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -97.304035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.304035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.304035 (E_RNA)
where:
Base-Base interactions energy: -43.060
where: short stacking energy: -32.054
Base-Backbone interact. energy: -0.401
local terms energy: -53.842739
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: 0.027
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -267.259957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.259957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.259957 (E_RNA)
where:
Base-Base interactions energy: -151.772
where: short stacking energy: -101.900
Base-Backbone interact. energy: -0.263
local terms energy: -115.225454
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -23.510
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -31.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -246.749272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.749272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.749272 (E_RNA)
where:
Base-Base interactions energy: -150.710
where: short stacking energy: -84.984
Base-Backbone interact. energy: -0.202
local terms energy: -95.836975
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -23.663
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: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -204.365309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.365309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.365309 (E_RNA)
where:
Base-Base interactions energy: -119.383
where: short stacking energy: -75.927
Base-Backbone interact. energy: -0.213
local terms energy: -84.769897
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -21.847
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -14.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -201.593464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.593464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.593464 (E_RNA)
where:
Base-Base interactions energy: -116.109
where: short stacking energy: -71.360
Base-Backbone interact. energy: -0.174
local terms energy: -85.310646
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -185.025784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.025784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.025784 (E_RNA)
where:
Base-Base interactions energy: -107.577
where: short stacking energy: -57.034
Base-Backbone interact. energy: -0.064
local terms energy: -77.384912
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -122.979696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.979696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.979696 (E_RNA)
where:
Base-Base interactions energy: -55.861
where: short stacking energy: -52.324
Base-Backbone interact. energy: 0.840
local terms energy: -67.958425
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -12.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -114.238534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.238534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.238534 (E_RNA)
where:
Base-Base interactions energy: -40.592
where: short stacking energy: -36.189
Base-Backbone interact. energy: -0.295
local terms energy: -73.351550
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -21.354
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -114.431598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.431598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.431598 (E_RNA)
where:
Base-Base interactions energy: -42.518
where: short stacking energy: -42.793
Base-Backbone interact. energy: 0.094
local terms energy: -72.007955
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -116.078964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.078964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.078964 (E_RNA)
where:
Base-Base interactions energy: -42.933
where: short stacking energy: -30.587
Base-Backbone interact. energy: -0.084
local terms energy: -73.062478
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -8.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -104.402416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.402416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.402416 (E_RNA)
where:
Base-Base interactions energy: -27.345
where: short stacking energy: -27.345
Base-Backbone interact. energy: 0.029
local terms energy: -77.086556
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -264.935943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.935943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.935943 (E_RNA)
where:
Base-Base interactions energy: -149.259
where: short stacking energy: -94.990
Base-Backbone interact. energy: -0.042
local terms energy: -115.635059
where:
bonds (distance) C4'-P energy: -22.048
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -25.910
flat angles P-C4'-P energy: -17.664
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: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -248.494389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.494389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.494389 (E_RNA)
where:
Base-Base interactions energy: -150.571
where: short stacking energy: -88.182
Base-Backbone interact. energy: 0.007
local terms energy: -97.931120
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -17.824
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: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -201.170693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.170693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.170693 (E_RNA)
where:
Base-Base interactions energy: -104.581
where: short stacking energy: -70.470
Base-Backbone interact. energy: -0.179
local terms energy: -96.409820
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -201.025432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.025432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.025432 (E_RNA)
where:
Base-Base interactions energy: -115.057
where: short stacking energy: -66.510
Base-Backbone interact. energy: 0.636
local terms energy: -86.604099
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -12.519
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: 5, replica: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -192.462327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.462327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.462327 (E_RNA)
where:
Base-Base interactions energy: -100.519
where: short stacking energy: -61.305
Base-Backbone interact. energy: -0.809
local terms energy: -91.133824
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -132.912183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.912183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.912183 (E_RNA)
where:
Base-Base interactions energy: -62.356
where: short stacking energy: -42.448
Base-Backbone interact. energy: -0.407
local terms energy: -70.149663
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -130.295195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.295195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.295195 (E_RNA)
where:
Base-Base interactions energy: -49.934
where: short stacking energy: -49.934
Base-Backbone interact. energy: -0.077
local terms energy: -80.284909
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -12.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -103.914384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.914384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.914384 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -32.448
Base-Backbone interact. energy: -0.249
local terms energy: -69.787728
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -1.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -104.540399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.540399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.540399 (E_RNA)
where:
Base-Base interactions energy: -42.994
where: short stacking energy: -42.107
Base-Backbone interact. energy: -0.282
local terms energy: -61.264064
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -2.968
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -104.600237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.600237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.600237 (E_RNA)
where:
Base-Base interactions energy: -38.062
where: short stacking energy: -35.807
Base-Backbone interact. energy: -0.244
local terms energy: -66.294001
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -267.150931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.150931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.150931 (E_RNA)
where:
Base-Base interactions energy: -155.850
where: short stacking energy: -105.743
Base-Backbone interact. energy: -0.119
local terms energy: -111.181606
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -21.971
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -32.898
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: 494
Temperature: 0.950000
Total energy: -248.774661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.774661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.774661 (E_RNA)
where:
Base-Base interactions energy: -150.704
where: short stacking energy: -90.639
Base-Backbone interact. energy: -0.177
local terms energy: -97.893745
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -15.809
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: 3, replica: 1
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -214.467247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.467247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.467247 (E_RNA)
where:
Base-Base interactions energy: -118.129
where: short stacking energy: -70.207
Base-Backbone interact. energy: -0.580
local terms energy: -95.758574
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -20.098
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: 494
Temperature: 1.050000
Total energy: -203.078153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.078153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.078153 (E_RNA)
where:
Base-Base interactions energy: -116.780
where: short stacking energy: -78.508
Base-Backbone interact. energy: -0.055
local terms energy: -86.242956
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -176.077781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.077781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.077781 (E_RNA)
where:
Base-Base interactions energy: -102.186
where: short stacking energy: -55.038
Base-Backbone interact. energy: -0.368
local terms energy: -73.524414
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -12.572
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: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -137.463888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.463888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.463888 (E_RNA)
where:
Base-Base interactions energy: -50.812
where: short stacking energy: -50.812
Base-Backbone interact. energy: -0.174
local terms energy: -86.477081
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -13.778
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: 7, replica: 3
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -109.609303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.609303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.609303 (E_RNA)
where:
Base-Base interactions energy: -36.482
where: short stacking energy: -21.334
Base-Backbone interact. energy: 1.997
local terms energy: -75.123898
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -112.080629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.080629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.080629 (E_RNA)
where:
Base-Base interactions energy: -51.870
where: short stacking energy: -41.709
Base-Backbone interact. energy: -0.968
local terms energy: -59.242892
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -14.153
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: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -123.592436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.592436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.592436 (E_RNA)
where:
Base-Base interactions energy: -60.258
where: short stacking energy: -48.881
Base-Backbone interact. energy: 0.555
local terms energy: -63.888776
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -1.916
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: 7
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -94.123418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.123418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.123418 (E_RNA)
where:
Base-Base interactions energy: -30.895
where: short stacking energy: -31.195
Base-Backbone interact. energy: -0.335
local terms energy: -62.892972
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -3.447
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -7.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -258.663551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.663551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.663551 (E_RNA)
where:
Base-Base interactions energy: -152.901
where: short stacking energy: -100.295
Base-Backbone interact. energy: -0.225
local terms energy: -105.536875
where:
bonds (distance) C4'-P energy: -20.391
bonds (distance) P-C4' energy: -23.857
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -32.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -267.030481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.030481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.030481 (E_RNA)
where:
Base-Base interactions energy: -156.251
where: short stacking energy: -94.067
Base-Backbone interact. energy: -0.007
local terms energy: -110.772385
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -24.206
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -30.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -230.968252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.968252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.968252 (E_RNA)
where:
Base-Base interactions energy: -126.401
where: short stacking energy: -89.953
Base-Backbone interact. energy: -0.429
local terms energy: -104.138921
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -24.758
flat angles C4'-P-C4' energy: -23.015
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -25.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -216.898495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.898495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.898495 (E_RNA)
where:
Base-Base interactions energy: -123.141
where: short stacking energy: -81.094
Base-Backbone interact. energy: -0.114
local terms energy: -93.642969
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -182.071933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.071933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.071933 (E_RNA)
where:
Base-Base interactions energy: -99.863
where: short stacking energy: -52.510
Base-Backbone interact. energy: -0.168
local terms energy: -82.041152
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -130.170112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.170112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.170112 (E_RNA)
where:
Base-Base interactions energy: -54.129
where: short stacking energy: -42.126
Base-Backbone interact. energy: -0.312
local terms energy: -75.728508
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -10.964
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: 7, replica: 3
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -118.312739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.312739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.312739 (E_RNA)
where:
Base-Base interactions energy: -41.214
where: short stacking energy: -41.214
Base-Backbone interact. energy: -0.077
local terms energy: -77.021957
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -5.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -109.827596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.827596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.827596 (E_RNA)
where:
Base-Base interactions energy: -39.992
where: short stacking energy: -39.992
Base-Backbone interact. energy: 0.225
local terms energy: -70.061440
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -98.674994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.674994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.674994 (E_RNA)
where:
Base-Base interactions energy: -30.809
where: short stacking energy: -26.027
Base-Backbone interact. energy: -0.272
local terms energy: -67.594279
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -3.485
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -105.980105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.980105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.980105 (E_RNA)
where:
Base-Base interactions energy: -35.657
where: short stacking energy: -35.657
Base-Backbone interact. energy: -0.016
local terms energy: -70.307345
where:
bonds (distance) C4'-P energy: -23.434
bonds (distance) P-C4' energy: -9.247
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -9.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -267.603652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.603652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.603652 (E_RNA)
where:
Base-Base interactions energy: -163.276
where: short stacking energy: -92.243
Base-Backbone interact. energy: 0.877
local terms energy: -105.204065
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -26.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -249.550579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.550579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.550579 (E_RNA)
where:
Base-Base interactions energy: -145.036
where: short stacking energy: -94.676
Base-Backbone interact. energy: -0.007
local terms energy: -104.507413
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -27.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -226.359238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.359238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.359238 (E_RNA)
where:
Base-Base interactions energy: -121.312
where: short stacking energy: -78.809
Base-Backbone interact. energy: -0.105
local terms energy: -104.942719
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -23.442
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -23.824
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: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -204.523920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.523920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.523920 (E_RNA)
where:
Base-Base interactions energy: -114.500
where: short stacking energy: -66.179
Base-Backbone interact. energy: -0.192
local terms energy: -89.831854
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -178.768415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.768415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.768415 (E_RNA)
where:
Base-Base interactions energy: -107.411
where: short stacking energy: -63.914
Base-Backbone interact. energy: -0.016
local terms energy: -71.341161
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -134.932587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.932587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.932587 (E_RNA)
where:
Base-Base interactions energy: -57.873
where: short stacking energy: -43.588
Base-Backbone interact. energy: -0.451
local terms energy: -76.608928
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -11.615
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: 3
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -106.285369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.285369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.285369 (E_RNA)
where:
Base-Base interactions energy: -34.476
where: short stacking energy: -34.476
Base-Backbone interact. energy: 0.280
local terms energy: -72.090188
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -119.724940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.724940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.724940 (E_RNA)
where:
Base-Base interactions energy: -49.078
where: short stacking energy: -25.710
Base-Backbone interact. energy: 0.193
local terms energy: -70.839101
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -12.308
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: 7
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -112.827468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.827468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.827468 (E_RNA)
where:
Base-Base interactions energy: -42.858
where: short stacking energy: -41.958
Base-Backbone interact. energy: -0.083
local terms energy: -69.887071
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -19.459
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -95.692262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.692262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.692262 (E_RNA)
where:
Base-Base interactions energy: -35.815
where: short stacking energy: -35.815
Base-Backbone interact. energy: -0.494
local terms energy: -59.383909
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: 2.533
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: 497
Temperature: 0.900000
Total energy: -275.195401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.195401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.195401 (E_RNA)
where:
Base-Base interactions energy: -161.451
where: short stacking energy: -93.544
Base-Backbone interact. energy: -0.016
local terms energy: -113.728841
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -19.094
tors. eta vs tors. theta energy: -29.898
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: 1
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -246.174906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.174906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.174906 (E_RNA)
where:
Base-Base interactions energy: -144.763
where: short stacking energy: -93.265
Base-Backbone interact. energy: -0.077
local terms energy: -101.335219
where:
bonds (distance) C4'-P energy: -18.893
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -22.864
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: -21.366
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: 9
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -228.150346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.150346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.150346 (E_RNA)
where:
Base-Base interactions energy: -138.013
where: short stacking energy: -81.787
Base-Backbone interact. energy: -0.071
local terms energy: -90.066291
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -19.654
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: 8
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -210.389391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.389391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.389391 (E_RNA)
where:
Base-Base interactions energy: -114.853
where: short stacking energy: -73.609
Base-Backbone interact. energy: -0.205
local terms energy: -95.331546
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -19.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -197.389150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.389150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.389150 (E_RNA)
where:
Base-Base interactions energy: -110.170
where: short stacking energy: -66.312
Base-Backbone interact. energy: -0.154
local terms energy: -87.064690
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -11.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -144.646305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.646305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.646305 (E_RNA)
where:
Base-Base interactions energy: -67.657
where: short stacking energy: -67.657
Base-Backbone interact. energy: -0.092
local terms energy: -76.897961
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -1.503
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -116.680867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.680867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.680867 (E_RNA)
where:
Base-Base interactions energy: -44.122
where: short stacking energy: -42.628
Base-Backbone interact. energy: -0.279
local terms energy: -72.280298
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -5.246
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: 8, replica: 7
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -105.936294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.936294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.936294 (E_RNA)
where:
Base-Base interactions energy: -37.748
where: short stacking energy: -34.240
Base-Backbone interact. energy: -0.179
local terms energy: -68.009646
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -11.789
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: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -119.429702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.429702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.429702 (E_RNA)
where:
Base-Base interactions energy: -57.986
where: short stacking energy: -34.899
Base-Backbone interact. energy: -0.537
local terms energy: -60.906641
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -11.165
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: 497
Temperature: 1.350000
Total energy: -101.764238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.764238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.764238 (E_RNA)
where:
Base-Base interactions energy: -35.015
where: short stacking energy: -20.979
Base-Backbone interact. energy: -0.131
local terms energy: -66.618125
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -9.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -274.302226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.302226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.302226 (E_RNA)
where:
Base-Base interactions energy: -166.457
where: short stacking energy: -106.706
Base-Backbone interact. energy: -0.010
local terms energy: -107.835350
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -18.708
flat angles C4'-P-C4' energy: -23.618
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -27.900
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: 2, replica: 1
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -229.745971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.745971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.745971 (E_RNA)
where:
Base-Base interactions energy: -128.456
where: short stacking energy: -87.326
Base-Backbone interact. energy: -0.044
local terms energy: -101.246332
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -23.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -230.066207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.066207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.066207 (E_RNA)
where:
Base-Base interactions energy: -136.753
where: short stacking energy: -74.899
Base-Backbone interact. energy: 0.041
local terms energy: -93.354006
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -15.244
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: 4, replica: 8
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -205.260640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.260640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.260640 (E_RNA)
where:
Base-Base interactions energy: -115.400
where: short stacking energy: -68.646
Base-Backbone interact. energy: 3.868
local terms energy: -93.727974
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -164.390589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.390589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.390589 (E_RNA)
where:
Base-Base interactions energy: -66.584
where: short stacking energy: -65.596
Base-Backbone interact. energy: -0.903
local terms energy: -96.904164
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -15.728
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: 6, replica: 10
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -200.171682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.171682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.171682 (E_RNA)
where:
Base-Base interactions energy: -106.001
where: short stacking energy: -63.611
Base-Backbone interact. energy: -0.130
local terms energy: -94.040928
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -22.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -119.253100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.253100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.253100 (E_RNA)
where:
Base-Base interactions energy: -43.467
where: short stacking energy: -43.467
Base-Backbone interact. energy: -0.017
local terms energy: -75.769170
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -7.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -109.961245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.961245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.961245 (E_RNA)
where:
Base-Base interactions energy: -37.063
where: short stacking energy: -36.816
Base-Backbone interact. energy: -0.246
local terms energy: -72.652233
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -125.001408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.001408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.001408 (E_RNA)
where:
Base-Base interactions energy: -58.347
where: short stacking energy: -57.257
Base-Backbone interact. energy: -0.146
local terms energy: -66.509074
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -92.102102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.102102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.102102 (E_RNA)
where:
Base-Base interactions energy: -31.846
where: short stacking energy: -31.846
Base-Backbone interact. energy: -0.172
local terms energy: -60.084194
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: 1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -271.867556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.867556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.867556 (E_RNA)
where:
Base-Base interactions energy: -162.454
where: short stacking energy: -97.952
Base-Backbone interact. energy: -0.018
local terms energy: -109.396025
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -30.083
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: 2, replica: 9
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -249.777949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.777949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.777949 (E_RNA)
where:
Base-Base interactions energy: -138.886
where: short stacking energy: -86.886
Base-Backbone interact. energy: -0.269
local terms energy: -110.622958
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -20.878
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: 3, replica: 1
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -228.125159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.125159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.125159 (E_RNA)
where:
Base-Base interactions energy: -126.784
where: short stacking energy: -86.426
Base-Backbone interact. energy: -0.321
local terms energy: -101.020226
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -27.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -206.056051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.056051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.056051 (E_RNA)
where:
Base-Base interactions energy: -116.467
where: short stacking energy: -74.529
Base-Backbone interact. energy: 2.572
local terms energy: -92.160872
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -16.466
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: 5, replica: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -143.817294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.817294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.817294 (E_RNA)
where:
Base-Base interactions energy: -53.265
where: short stacking energy: -51.726
Base-Backbone interact. energy: -0.072
local terms energy: -90.479592
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -8.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -194.669404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.669404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.669404 (E_RNA)
where:
Base-Base interactions energy: -115.304
where: short stacking energy: -73.172
Base-Backbone interact. energy: -0.052
local terms energy: -79.313487
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -107.826032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.826032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.826032 (E_RNA)
where:
Base-Base interactions energy: -50.756
where: short stacking energy: -36.931
Base-Backbone interact. energy: -0.220
local terms energy: -56.849808
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -113.244408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.244408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.244408 (E_RNA)
where:
Base-Base interactions energy: -42.592
where: short stacking energy: -37.661
Base-Backbone interact. energy: 0.186
local terms energy: -70.838492
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -9.332
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: 9, replica: 5
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -108.627255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.627255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.627255 (E_RNA)
where:
Base-Base interactions energy: -36.895
where: short stacking energy: -36.895
Base-Backbone interact. energy: -0.171
local terms energy: -71.561932
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -92.168514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.168514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.168514 (E_RNA)
where:
Base-Base interactions energy: -33.573
where: short stacking energy: -25.467
Base-Backbone interact. energy: -0.323
local terms energy: -58.271894
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -276.866624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.866624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.866624 (E_RNA)
where:
Base-Base interactions energy: -160.956
where: short stacking energy: -100.590
Base-Backbone interact. energy: -0.025
local terms energy: -115.885798
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -18.964
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: 2, replica: 9
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -257.948663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.948663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.948663 (E_RNA)
where:
Base-Base interactions energy: -150.948
where: short stacking energy: -93.731
Base-Backbone interact. energy: -0.945
local terms energy: -106.056201
where:
bonds (distance) C4'-P energy: -21.364
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -26.921
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: 8
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -241.314479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.314479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.314479 (E_RNA)
where:
Base-Base interactions energy: -126.861
where: short stacking energy: -81.919
Base-Backbone interact. energy: -0.046
local terms energy: -114.406730
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -22.439
flat angles C4'-P-C4' energy: -25.173
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -30.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -227.799183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.799183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.799183 (E_RNA)
where:
Base-Base interactions energy: -125.836
where: short stacking energy: -80.463
Base-Backbone interact. energy: -0.087
local terms energy: -101.876399
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -23.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -198.553430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.553430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.553430 (E_RNA)
where:
Base-Base interactions energy: -112.682
where: short stacking energy: -69.402
Base-Backbone interact. energy: -0.016
local terms energy: -85.855866
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -121.821623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.821623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.821623 (E_RNA)
where:
Base-Base interactions energy: -40.834
where: short stacking energy: -38.493
Base-Backbone interact. energy: -0.194
local terms energy: -80.793660
where:
bonds (distance) C4'-P energy: -23.188
bonds (distance) P-C4' energy: -23.945
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -11.198
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: 7, replica: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -120.250825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.250825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.250825 (E_RNA)
where:
Base-Base interactions energy: -49.945
where: short stacking energy: -44.120
Base-Backbone interact. energy: -0.155
local terms energy: -70.150645
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -7.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -107.799889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.799889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.799889 (E_RNA)
where:
Base-Base interactions energy: -37.427
where: short stacking energy: -37.427
Base-Backbone interact. energy: -0.270
local terms energy: -70.103617
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -10.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -106.726568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.726568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.726568 (E_RNA)
where:
Base-Base interactions energy: -48.632
where: short stacking energy: -33.213
Base-Backbone interact. energy: -0.409
local terms energy: -57.685314
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -4.484
tors. eta vs tors. theta energy: -0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -107.937900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.937900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.937900 (E_RNA)
where:
Base-Base interactions energy: -33.755
where: short stacking energy: -23.562
Base-Backbone interact. energy: 0.280
local terms energy: -74.462333
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -6.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -263.236466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.236466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.236466 (E_RNA)
where:
Base-Base interactions energy: -152.765
where: short stacking energy: -93.857
Base-Backbone interact. energy: 0.006
local terms energy: -110.476635
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -24.949
flat angles C4'-P-C4' energy: -22.197
flat angles P-C4'-P energy: -15.527
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: 2, replica: 9
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -249.433415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.433415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.433415 (E_RNA)
where:
Base-Base interactions energy: -151.301
where: short stacking energy: -96.369
Base-Backbone interact. energy: 0.557
local terms energy: -98.689698
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -26.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -237.532151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.532151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.532151 (E_RNA)
where:
Base-Base interactions energy: -135.206
where: short stacking energy: -87.953
Base-Backbone interact. energy: 0.218
local terms energy: -102.544589
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -16.554
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: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -186.491196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.491196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.491196 (E_RNA)
where:
Base-Base interactions energy: -108.763
where: short stacking energy: -66.891
Base-Backbone interact. energy: -0.868
local terms energy: -76.860762
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -206.958817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.958817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.958817 (E_RNA)
where:
Base-Base interactions energy: -121.037
where: short stacking energy: -72.264
Base-Backbone interact. energy: -0.223
local terms energy: -85.699300
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -21.571
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -134.835742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.835742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.835742 (E_RNA)
where:
Base-Base interactions energy: -61.758
where: short stacking energy: -56.808
Base-Backbone interact. energy: -0.011
local terms energy: -73.066609
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -130.141775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.141775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.141775 (E_RNA)
where:
Base-Base interactions energy: -47.135
where: short stacking energy: -47.037
Base-Backbone interact. energy: -0.237
local terms energy: -82.770343
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -104.034604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.034604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.034604 (E_RNA)
where:
Base-Base interactions energy: -32.522
where: short stacking energy: -32.525
Base-Backbone interact. energy: -0.271
local terms energy: -71.241048
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -119.460367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.460367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.460367 (E_RNA)
where:
Base-Base interactions energy: -49.427
where: short stacking energy: -49.427
Base-Backbone interact. energy: -0.222
local terms energy: -69.811644
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -99.647531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.647531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.647531 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -23.178
Base-Backbone interact. energy: -0.292
local terms energy: -68.446545
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 9 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 28624164
moves confirmed later: 34101805
all moves confirmed: 62725969
percent of confirmed moves: 7.840746
current total energy: -220.030067
recalc. total energy: -220.030067
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 22564714
moves confirmed later: 25610009
all moves confirmed: 48174723
percent of confirmed moves: 6.021840
current total energy: -199.317171
recalc. total energy: -199.317171
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 25729126
moves confirmed later: 29850033
all moves confirmed: 55579159
percent of confirmed moves: 6.947395
current total energy: -186.200609
recalc. total energy: -186.200609
replica 10 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 33826127
moves confirmed later: 41434897
all moves confirmed: 75261024
percent of confirmed moves: 9.407628
current total energy: -130.628281
recalc. total energy: -130.628281
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 30806660
moves confirmed later: 37095556
all moves confirmed: 67902216
percent of confirmed moves: 8.487777
current total energy: -156.647633
recalc. total energy: -156.647633
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 34970377
moves confirmed later: 43005974
all moves confirmed: 77976351
percent of confirmed moves: 9.747044
current total energy: -99.830198
recalc. total energy: -99.830198
replica 4 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 29841391
moves confirmed later: 35626447
all moves confirmed: 65467838
percent of confirmed moves: 8.183480
current total energy: -55.241210
recalc. total energy: -55.241210
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 35895623
moves confirmed later: 44335630
all moves confirmed: 80231253
percent of confirmed moves: 10.028907
current total energy: -32.782844
recalc. total energy: -32.782844
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 35466029
moves confirmed later: 43693550
all moves confirmed: 79159579
percent of confirmed moves: 9.894947
current total energy: -54.450646
recalc. total energy: -54.450646
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 35499600
moves confirmed later: 43825020
all moves confirmed: 79324620
percent of confirmed moves: 9.915577
current total energy: -71.436757
recalc. total energy: -71.436757
out arg RESULTS//1/vl30-30mer-a9969229_01
Time of doing 8000000 iterations: 2189.633 seconds