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/VL30-32-f153c541/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32-f153c541/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32-f153c541/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32-f153c541/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32-f153c541/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32-f153c541/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32-f153c541/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32-f153c541/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32-f153c541/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32-f153c541/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32-f153c541/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32-f153c541/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32-f153c541/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32-f153c541/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32-f153c541/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32-f153c541/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32-f153c541/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32-f153c541/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32-f153c541/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32-f153c541/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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: -118.681232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.681232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -118.681232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.681232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -118.681232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.681232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -118.681232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.681232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -118.681232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.681232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -118.681232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.681232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -118.681232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.681232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -118.681232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.681232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -118.681232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.681232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -118.681232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.681232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -188.030563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.030563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.030563 (E_RNA)
where:
Base-Base interactions energy: -88.823
where: short stacking energy: -86.142
Base-Backbone interact. energy: -0.008
local terms energy: -99.199088
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -24.196
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -20.053
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -194.110077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.110077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.110077 (E_RNA)
where:
Base-Base interactions energy: -87.582
where: short stacking energy: -71.444
Base-Backbone interact. energy: -0.224
local terms energy: -106.304412
where:
bonds (distance) C4'-P energy: -25.431
bonds (distance) P-C4' energy: -25.722
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -19.831
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -165.487691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.487691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.487691 (E_RNA)
where:
Base-Base interactions energy: -70.717
where: short stacking energy: -67.444
Base-Backbone interact. energy: -0.258
local terms energy: -94.512794
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -25.092
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -154.815874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.815874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.815874 (E_RNA)
where:
Base-Base interactions energy: -61.611
where: short stacking energy: -61.611
Base-Backbone interact. energy: -0.166
local terms energy: -93.039111
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -131.934777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.934777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.934777 (E_RNA)
where:
Base-Base interactions energy: -45.209
where: short stacking energy: -42.490
Base-Backbone interact. energy: -0.301
local terms energy: -86.424707
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -27.267
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -9.967
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -134.785715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.785715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.785715 (E_RNA)
where:
Base-Base interactions energy: -55.841
where: short stacking energy: -41.179
Base-Backbone interact. energy: -0.771
local terms energy: -78.174142
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -23.878
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -1.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -133.024832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.024832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.024832 (E_RNA)
where:
Base-Base interactions energy: -42.689
where: short stacking energy: -33.489
Base-Backbone interact. energy: 0.672
local terms energy: -91.007613
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -19.273
flat angles C4'-P-C4' energy: -24.721
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -118.565529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.565529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.565529 (E_RNA)
where:
Base-Base interactions energy: -3.856
where: short stacking energy: -3.856
Base-Backbone interact. energy: -0.000
local terms energy: -114.709700
where:
bonds (distance) C4'-P energy: -29.037
bonds (distance) P-C4' energy: -29.249
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -7.979
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -119.264912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.264912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.264912 (E_RNA)
where:
Base-Base interactions energy: -1.468
where: short stacking energy: -1.468
Base-Backbone interact. energy: -0.000
local terms energy: -117.796805
where:
bonds (distance) C4'-P energy: -30.975
bonds (distance) P-C4' energy: -29.510
flat angles C4'-P-C4' energy: -22.804
flat angles P-C4'-P energy: -26.491
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -118.067027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.067027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.067027 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.184332
where:
bonds (distance) C4'-P energy: -30.975
bonds (distance) P-C4' energy: -29.517
flat angles C4'-P-C4' energy: -22.910
flat angles P-C4'-P energy: -26.802
tors. eta vs tors. theta energy: -7.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -179.858819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.858819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.858819 (E_RNA)
where:
Base-Base interactions energy: -77.994
where: short stacking energy: -77.994
Base-Backbone interact. energy: -0.102
local terms energy: -101.762828
where:
bonds (distance) C4'-P energy: -24.517
bonds (distance) P-C4' energy: -22.554
flat angles C4'-P-C4' energy: -20.364
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -22.108
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -189.867189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.867189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.867189 (E_RNA)
where:
Base-Base interactions energy: -86.959
where: short stacking energy: -86.959
Base-Backbone interact. energy: -0.013
local terms energy: -102.895420
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -21.767
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: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -209.852799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.852799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.852799 (E_RNA)
where:
Base-Base interactions energy: -107.088
where: short stacking energy: -75.228
Base-Backbone interact. energy: -0.632
local terms energy: -102.132842
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -22.385
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -20.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -160.490980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.490980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.490980 (E_RNA)
where:
Base-Base interactions energy: -77.521
where: short stacking energy: -58.627
Base-Backbone interact. energy: -0.254
local terms energy: -82.716071
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -4.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -147.147679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.147679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.147679 (E_RNA)
where:
Base-Base interactions energy: -78.171
where: short stacking energy: -60.643
Base-Backbone interact. energy: -0.258
local terms energy: -68.718493
where:
bonds (distance) C4'-P energy: -23.955
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -131.391872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.391872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.391872 (E_RNA)
where:
Base-Base interactions energy: -59.106
where: short stacking energy: -35.981
Base-Backbone interact. energy: 0.890
local terms energy: -73.176342
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -19.612
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -120.296227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.296227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.296227 (E_RNA)
where:
Base-Base interactions energy: -47.495
where: short stacking energy: -46.085
Base-Backbone interact. energy: 0.990
local terms energy: -73.791801
where:
bonds (distance) C4'-P energy: -20.275
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -118.962505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.962505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.962505 (E_RNA)
where:
Base-Base interactions energy: -45.983
where: short stacking energy: -41.974
Base-Backbone interact. energy: -0.113
local terms energy: -72.866491
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -4.001
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -110.944378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.944378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.944378 (E_RNA)
where:
Base-Base interactions energy: -41.487
where: short stacking energy: -33.661
Base-Backbone interact. energy: 1.098
local terms energy: -70.555034
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -1.879
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -97.448458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.448458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.448458 (E_RNA)
where:
Base-Base interactions energy: -27.509
where: short stacking energy: -26.365
Base-Backbone interact. energy: -0.396
local terms energy: -69.542622
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -206.293268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.293268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.293268 (E_RNA)
where:
Base-Base interactions energy: -101.836
where: short stacking energy: -91.799
Base-Backbone interact. energy: -0.079
local terms energy: -104.377655
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -25.503
flat angles C4'-P-C4' energy: -26.089
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -21.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -197.501091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.501091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.501091 (E_RNA)
where:
Base-Base interactions energy: -88.119
where: short stacking energy: -75.337
Base-Backbone interact. energy: 0.999
local terms energy: -110.381627
where:
bonds (distance) C4'-P energy: -24.255
bonds (distance) P-C4' energy: -25.932
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -20.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -225.902322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.902322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.902322 (E_RNA)
where:
Base-Base interactions energy: -144.561
where: short stacking energy: -76.876
Base-Backbone interact. energy: -0.005
local terms energy: -81.336741
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -177.898525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.898525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.898525 (E_RNA)
where:
Base-Base interactions energy: -75.819
where: short stacking energy: -74.460
Base-Backbone interact. energy: -0.182
local terms energy: -101.897883
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -160.365987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.365987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.365987 (E_RNA)
where:
Base-Base interactions energy: -74.414
where: short stacking energy: -50.963
Base-Backbone interact. energy: -0.814
local terms energy: -85.138309
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -8.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -134.346268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.346268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.346268 (E_RNA)
where:
Base-Base interactions energy: -54.780
where: short stacking energy: -53.936
Base-Backbone interact. energy: -0.402
local terms energy: -79.163910
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -143.926532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.926532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.926532 (E_RNA)
where:
Base-Base interactions energy: -60.695
where: short stacking energy: -50.407
Base-Backbone interact. energy: -0.191
local terms energy: -83.040695
where:
bonds (distance) C4'-P energy: -22.423
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -11.060
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: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -132.134783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.134783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.134783 (E_RNA)
where:
Base-Base interactions energy: -52.872
where: short stacking energy: -45.723
Base-Backbone interact. energy: -0.619
local terms energy: -78.643577
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -22.822
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -112.609464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.609464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.609464 (E_RNA)
where:
Base-Base interactions energy: -43.768
where: short stacking energy: -30.517
Base-Backbone interact. energy: -0.635
local terms energy: -68.205610
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -110.724814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.724814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.724814 (E_RNA)
where:
Base-Base interactions energy: -43.494
where: short stacking energy: -42.324
Base-Backbone interact. energy: -0.183
local terms energy: -67.047229
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -17.680
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -4.635
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: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -200.565602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.565602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.565602 (E_RNA)
where:
Base-Base interactions energy: -93.132
where: short stacking energy: -81.743
Base-Backbone interact. energy: -1.304
local terms energy: -106.129868
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -17.639
tors. eta vs tors. theta energy: -24.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -226.621118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.621118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.621118 (E_RNA)
where:
Base-Base interactions energy: -128.289
where: short stacking energy: -77.095
Base-Backbone interact. energy: -0.058
local terms energy: -98.274203
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -21.159
flat angles C4'-P-C4' energy: -25.054
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -19.364
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: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -195.223562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.223562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.223562 (E_RNA)
where:
Base-Base interactions energy: -100.021
where: short stacking energy: -71.528
Base-Backbone interact. energy: -1.162
local terms energy: -94.040000
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -16.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -193.864754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.864754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.864754 (E_RNA)
where:
Base-Base interactions energy: -105.150
where: short stacking energy: -76.562
Base-Backbone interact. energy: -0.124
local terms energy: -88.591392
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -25.334
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -154.222910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.222910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.222910 (E_RNA)
where:
Base-Base interactions energy: -60.433
where: short stacking energy: -57.891
Base-Backbone interact. energy: -0.155
local terms energy: -93.634617
where:
bonds (distance) C4'-P energy: -21.844
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -13.969
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: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -133.956091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.956091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.956091 (E_RNA)
where:
Base-Base interactions energy: -49.090
where: short stacking energy: -44.936
Base-Backbone interact. energy: -0.221
local terms energy: -84.645316
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -3.199
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: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -121.316637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.316637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.316637 (E_RNA)
where:
Base-Base interactions energy: -55.059
where: short stacking energy: -31.979
Base-Backbone interact. energy: -0.154
local terms energy: -66.104039
where:
bonds (distance) C4'-P energy: -21.500
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -1.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -126.836426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.836426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.836426 (E_RNA)
where:
Base-Base interactions energy: -42.260
where: short stacking energy: -42.210
Base-Backbone interact. energy: -0.132
local terms energy: -84.444956
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -13.378
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: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -141.075743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.075743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.075743 (E_RNA)
where:
Base-Base interactions energy: -59.623
where: short stacking energy: -48.236
Base-Backbone interact. energy: -0.308
local terms energy: -81.144898
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -99.737166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.737166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.737166 (E_RNA)
where:
Base-Base interactions energy: -36.068
where: short stacking energy: -28.652
Base-Backbone interact. energy: 0.331
local terms energy: -64.000348
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -268.309369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.309369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.309369 (E_RNA)
where:
Base-Base interactions energy: -164.345
where: short stacking energy: -84.615
Base-Backbone interact. energy: -0.089
local terms energy: -103.875907
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -23.470
flat angles C4'-P-C4' energy: -24.164
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -24.154
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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -194.489454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.489454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.489454 (E_RNA)
where:
Base-Base interactions energy: -84.427
where: short stacking energy: -84.427
Base-Backbone interact. energy: -0.006
local terms energy: -110.056110
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -24.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -217.550086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.550086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.550086 (E_RNA)
where:
Base-Base interactions energy: -127.684
where: short stacking energy: -77.867
Base-Backbone interact. energy: -0.716
local terms energy: -89.150481
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -23.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -180.658139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.658139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.658139 (E_RNA)
where:
Base-Base interactions energy: -97.129
where: short stacking energy: -64.959
Base-Backbone interact. energy: -1.675
local terms energy: -81.854254
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -11.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -148.340123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.340123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.340123 (E_RNA)
where:
Base-Base interactions energy: -57.887
where: short stacking energy: -57.887
Base-Backbone interact. energy: -0.103
local terms energy: -90.350324
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -24.616
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -14.843
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: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -133.029968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.029968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.029968 (E_RNA)
where:
Base-Base interactions energy: -51.037
where: short stacking energy: -45.122
Base-Backbone interact. energy: 0.606
local terms energy: -82.599212
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -22.587
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -128.289687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.289687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.289687 (E_RNA)
where:
Base-Base interactions energy: -57.989
where: short stacking energy: -36.842
Base-Backbone interact. energy: -0.063
local terms energy: -70.237641
where:
bonds (distance) C4'-P energy: -20.022
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -9.542
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: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -129.400932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.400932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.400932 (E_RNA)
where:
Base-Base interactions energy: -45.630
where: short stacking energy: -43.886
Base-Backbone interact. energy: -0.397
local terms energy: -83.373612
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -10.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -116.332920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.332920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.332920 (E_RNA)
where:
Base-Base interactions energy: -43.771
where: short stacking energy: -39.996
Base-Backbone interact. energy: -0.296
local terms energy: -72.266288
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -109.225101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.225101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.225101 (E_RNA)
where:
Base-Base interactions energy: -46.280
where: short stacking energy: -41.442
Base-Backbone interact. energy: 2.506
local terms energy: -65.451565
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -23.704
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -282.569988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.569988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.569988 (E_RNA)
where:
Base-Base interactions energy: -171.060
where: short stacking energy: -84.504
Base-Backbone interact. energy: -0.297
local terms energy: -111.213148
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -20.260
tors. eta vs tors. theta energy: -23.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -252.804035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.804035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.804035 (E_RNA)
where:
Base-Base interactions energy: -141.300
where: short stacking energy: -79.726
Base-Backbone interact. energy: -0.501
local terms energy: -111.003287
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -25.605
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -26.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -169.197978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.197978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.197978 (E_RNA)
where:
Base-Base interactions energy: -63.411
where: short stacking energy: -63.411
Base-Backbone interact. energy: -0.137
local terms energy: -105.650820
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -189.236811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.236811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.236811 (E_RNA)
where:
Base-Base interactions energy: -99.034
where: short stacking energy: -61.503
Base-Backbone interact. energy: 0.127
local terms energy: -90.329027
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -11.944
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: 5, replica: 9
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -147.516942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.516942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.516942 (E_RNA)
where:
Base-Base interactions energy: -61.581
where: short stacking energy: -50.471
Base-Backbone interact. energy: -0.246
local terms energy: -85.690197
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -24.129
flat angles C4'-P-C4' energy: -24.843
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -7.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -134.470655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.470655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.470655 (E_RNA)
where:
Base-Base interactions energy: -53.128
where: short stacking energy: -52.652
Base-Backbone interact. energy: 0.021
local terms energy: -81.362743
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -140.736712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.736712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.736712 (E_RNA)
where:
Base-Base interactions energy: -67.530
where: short stacking energy: -42.346
Base-Backbone interact. energy: 0.163
local terms energy: -73.369558
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -123.078932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.078932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.078932 (E_RNA)
where:
Base-Base interactions energy: -47.328
where: short stacking energy: -46.007
Base-Backbone interact. energy: -0.041
local terms energy: -75.709975
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -4.795
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: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -105.672489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.672489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.672489 (E_RNA)
where:
Base-Base interactions energy: -48.916
where: short stacking energy: -34.429
Base-Backbone interact. energy: -0.685
local terms energy: -56.071190
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: 5.302
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: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -98.851952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.851952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.851952 (E_RNA)
where:
Base-Base interactions energy: -26.999
where: short stacking energy: -26.937
Base-Backbone interact. energy: -0.456
local terms energy: -71.396417
where:
bonds (distance) C4'-P energy: -20.484
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -1.782
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: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -257.983365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.983365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.983365 (E_RNA)
where:
Base-Base interactions energy: -155.003
where: short stacking energy: -90.605
Base-Backbone interact. energy: -0.004
local terms energy: -102.976912
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -24.503
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -23.293
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: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -258.407448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.407448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.407448 (E_RNA)
where:
Base-Base interactions energy: -157.590
where: short stacking energy: -73.992
Base-Backbone interact. energy: -0.248
local terms energy: -100.569604
where:
bonds (distance) C4'-P energy: -26.852
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -213.825441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.825441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.825441 (E_RNA)
where:
Base-Base interactions energy: -110.116
where: short stacking energy: -91.026
Base-Backbone interact. energy: 0.999
local terms energy: -104.708360
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -23.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -154.009859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.009859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.009859 (E_RNA)
where:
Base-Base interactions energy: -63.254
where: short stacking energy: -63.254
Base-Backbone interact. energy: -0.411
local terms energy: -90.344377
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -155.585274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.585274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.585274 (E_RNA)
where:
Base-Base interactions energy: -75.667
where: short stacking energy: -57.586
Base-Backbone interact. energy: -0.199
local terms energy: -79.720096
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -11.847
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: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -143.433823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.433823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.433823 (E_RNA)
where:
Base-Base interactions energy: -50.573
where: short stacking energy: -49.294
Base-Backbone interact. energy: -0.041
local terms energy: -92.819333
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -23.234
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -10.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -145.616307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.616307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.616307 (E_RNA)
where:
Base-Base interactions energy: -61.532
where: short stacking energy: -60.320
Base-Backbone interact. energy: -1.410
local terms energy: -82.674102
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -134.708580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.708580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.708580 (E_RNA)
where:
Base-Base interactions energy: -52.269
where: short stacking energy: -52.269
Base-Backbone interact. energy: -0.272
local terms energy: -82.167379
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -8.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -116.222845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.222845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.222845 (E_RNA)
where:
Base-Base interactions energy: -45.551
where: short stacking energy: -45.551
Base-Backbone interact. energy: -0.393
local terms energy: -70.278816
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -4.083
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: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -99.255304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.255304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.255304 (E_RNA)
where:
Base-Base interactions energy: -31.574
where: short stacking energy: -31.574
Base-Backbone interact. energy: -0.121
local terms energy: -67.559738
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -1.402
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -258.415117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.415117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.415117 (E_RNA)
where:
Base-Base interactions energy: -159.367
where: short stacking energy: -91.032
Base-Backbone interact. energy: -0.599
local terms energy: -98.448814
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -248.351688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.351688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.351688 (E_RNA)
where:
Base-Base interactions energy: -148.387
where: short stacking energy: -72.475
Base-Backbone interact. energy: -0.027
local terms energy: -99.937333
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -21.938
flat angles C4'-P-C4' energy: -22.939
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -197.768322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.768322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.768322 (E_RNA)
where:
Base-Base interactions energy: -113.482
where: short stacking energy: -71.183
Base-Backbone interact. energy: -0.218
local terms energy: -84.068671
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -13.724
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: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -180.772584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.772584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.772584 (E_RNA)
where:
Base-Base interactions energy: -111.706
where: short stacking energy: -55.882
Base-Backbone interact. energy: -0.218
local terms energy: -68.848198
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -148.013541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.013541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.013541 (E_RNA)
where:
Base-Base interactions energy: -56.660
where: short stacking energy: -48.224
Base-Backbone interact. energy: -0.120
local terms energy: -91.233957
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -24.020
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -19.198
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: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -147.952023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.952023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.952023 (E_RNA)
where:
Base-Base interactions energy: -57.028
where: short stacking energy: -56.991
Base-Backbone interact. energy: -0.141
local terms energy: -90.783927
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -133.853856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.853856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.853856 (E_RNA)
where:
Base-Base interactions energy: -56.212
where: short stacking energy: -56.212
Base-Backbone interact. energy: -0.162
local terms energy: -77.479360
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -123.357237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.357237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.357237 (E_RNA)
where:
Base-Base interactions energy: -47.243
where: short stacking energy: -47.243
Base-Backbone interact. energy: -0.326
local terms energy: -75.788500
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -3.230
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: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -123.523880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.523880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.523880 (E_RNA)
where:
Base-Base interactions energy: -51.575
where: short stacking energy: -51.575
Base-Backbone interact. energy: 1.546
local terms energy: -73.494462
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -14.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -107.102843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.102843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.102843 (E_RNA)
where:
Base-Base interactions energy: -39.071
where: short stacking energy: -35.210
Base-Backbone interact. energy: 0.546
local terms energy: -68.578606
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -0.164
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: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -272.051985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.051985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.051985 (E_RNA)
where:
Base-Base interactions energy: -159.963
where: short stacking energy: -85.365
Base-Backbone interact. energy: 0.744
local terms energy: -112.832927
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -17.885
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: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -256.029063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.029063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.029063 (E_RNA)
where:
Base-Base interactions energy: -153.216
where: short stacking energy: -95.300
Base-Backbone interact. energy: -0.373
local terms energy: -102.439324
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -25.366
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -27.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -223.189772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.189772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.189772 (E_RNA)
where:
Base-Base interactions energy: -120.073
where: short stacking energy: -93.026
Base-Backbone interact. energy: -0.130
local terms energy: -102.987579
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -25.360
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -26.444
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: 9
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -258.807544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.807544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.807544 (E_RNA)
where:
Base-Base interactions energy: -156.711
where: short stacking energy: -88.947
Base-Backbone interact. energy: -0.114
local terms energy: -101.983256
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -23.552
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: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -138.749205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.749205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.749205 (E_RNA)
where:
Base-Base interactions energy: -63.387
where: short stacking energy: -50.266
Base-Backbone interact. energy: -0.282
local terms energy: -75.080480
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -141.634619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.634619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.634619 (E_RNA)
where:
Base-Base interactions energy: -57.161
where: short stacking energy: -57.161
Base-Backbone interact. energy: -0.508
local terms energy: -83.965572
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -23.110
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -8.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -124.079251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.079251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.079251 (E_RNA)
where:
Base-Base interactions energy: -43.155
where: short stacking energy: -43.155
Base-Backbone interact. energy: -0.257
local terms energy: -80.667374
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -12.947
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: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -131.192091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.192091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.192091 (E_RNA)
where:
Base-Base interactions energy: -52.591
where: short stacking energy: -52.591
Base-Backbone interact. energy: -0.235
local terms energy: -78.366967
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -7.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -95.254028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.254028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.254028 (E_RNA)
where:
Base-Base interactions energy: -37.145
where: short stacking energy: -28.356
Base-Backbone interact. energy: -0.403
local terms energy: -57.705778
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -0.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -113.082140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.082140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.082140 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -33.878
Base-Backbone interact. energy: 0.175
local terms energy: -79.378796
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -6.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -268.398033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.398033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.398033 (E_RNA)
where:
Base-Base interactions energy: -155.928
where: short stacking energy: -88.653
Base-Backbone interact. energy: -0.808
local terms energy: -111.661929
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -24.744
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: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -243.672330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.672330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.672330 (E_RNA)
where:
Base-Base interactions energy: -156.924
where: short stacking energy: -70.046
Base-Backbone interact. energy: -0.247
local terms energy: -86.501446
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -17.298
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: 3, replica: 7
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -209.261212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.261212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.261212 (E_RNA)
where:
Base-Base interactions energy: -114.781
where: short stacking energy: -75.362
Base-Backbone interact. energy: 0.148
local terms energy: -94.628332
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -24.932
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -238.591842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.591842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.591842 (E_RNA)
where:
Base-Base interactions energy: -143.884
where: short stacking energy: -82.533
Base-Backbone interact. energy: -0.099
local terms energy: -94.608779
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -19.713
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -18.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -172.185036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.185036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.185036 (E_RNA)
where:
Base-Base interactions energy: -85.082
where: short stacking energy: -51.124
Base-Backbone interact. energy: -0.237
local terms energy: -86.865411
where:
bonds (distance) C4'-P energy: -22.228
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -19.672
tors. eta vs tors. theta energy: -9.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -134.311525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.311525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.311525 (E_RNA)
where:
Base-Base interactions energy: -63.506
where: short stacking energy: -43.062
Base-Backbone interact. energy: -0.275
local terms energy: -70.529882
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -6.960
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: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -115.607992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.607992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.607992 (E_RNA)
where:
Base-Base interactions energy: -33.843
where: short stacking energy: -29.010
Base-Backbone interact. energy: -0.355
local terms energy: -81.410164
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -26.162
flat angles P-C4'-P energy: -12.189
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: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -139.435959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.435959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.435959 (E_RNA)
where:
Base-Base interactions energy: -65.453
where: short stacking energy: -56.559
Base-Backbone interact. energy: -0.856
local terms energy: -73.126933
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -12.671
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: 9, replica: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -109.078356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.078356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.078356 (E_RNA)
where:
Base-Base interactions energy: -44.110
where: short stacking energy: -38.979
Base-Backbone interact. energy: -0.357
local terms energy: -64.611377
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -2.709
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -92.902788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.902788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.902788 (E_RNA)
where:
Base-Base interactions energy: -27.607
where: short stacking energy: -24.639
Base-Backbone interact. energy: -0.303
local terms energy: -64.993194
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -15.108
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: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -276.805818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.805818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.805818 (E_RNA)
where:
Base-Base interactions energy: -169.106
where: short stacking energy: -106.921
Base-Backbone interact. energy: 1.565
local terms energy: -109.264626
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -23.119
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -26.737
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: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -254.704600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.704600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.704600 (E_RNA)
where:
Base-Base interactions energy: -150.900
where: short stacking energy: -81.012
Base-Backbone interact. energy: -0.013
local terms energy: -103.791531
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -21.449
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -23.430
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: 9
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -240.128838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.128838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.128838 (E_RNA)
where:
Base-Base interactions energy: -137.000
where: short stacking energy: -73.080
Base-Backbone interact. energy: -0.329
local terms energy: -102.799976
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -24.804
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -203.289936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.289936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.289936 (E_RNA)
where:
Base-Base interactions energy: -112.008
where: short stacking energy: -67.700
Base-Backbone interact. energy: 0.673
local terms energy: -91.955028
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -16.804
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: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -146.718182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.718182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.718182 (E_RNA)
where:
Base-Base interactions energy: -66.639
where: short stacking energy: -46.849
Base-Backbone interact. energy: -0.716
local terms energy: -79.363051
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -23.344
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -7.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -128.859566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.859566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.859566 (E_RNA)
where:
Base-Base interactions energy: -51.551
where: short stacking energy: -33.476
Base-Backbone interact. energy: -0.372
local terms energy: -76.936510
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -10.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -167.564899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.564899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.564899 (E_RNA)
where:
Base-Base interactions energy: -81.061
where: short stacking energy: -49.844
Base-Backbone interact. energy: -0.159
local terms energy: -86.344809
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -27.793
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -112.799455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.799455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.799455 (E_RNA)
where:
Base-Base interactions energy: -49.267
where: short stacking energy: -32.450
Base-Backbone interact. energy: 0.244
local terms energy: -63.776205
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: 0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -118.420345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.420345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.420345 (E_RNA)
where:
Base-Base interactions energy: -49.224
where: short stacking energy: -27.146
Base-Backbone interact. energy: -0.328
local terms energy: -68.867756
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: 0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -106.988890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.988890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.988890 (E_RNA)
where:
Base-Base interactions energy: -35.337
where: short stacking energy: -25.064
Base-Backbone interact. energy: 0.907
local terms energy: -72.559049
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -257.084348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.084348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.084348 (E_RNA)
where:
Base-Base interactions energy: -162.037
where: short stacking energy: -90.503
Base-Backbone interact. energy: -0.918
local terms energy: -94.128736
where:
bonds (distance) C4'-P energy: -24.597
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -21.841
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -281.428056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.428056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.428056 (E_RNA)
where:
Base-Base interactions energy: -172.424
where: short stacking energy: -96.470
Base-Backbone interact. energy: -0.020
local terms energy: -108.984061
where:
bonds (distance) C4'-P energy: -24.287
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -14.812
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: 9
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -245.771205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.771205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.771205 (E_RNA)
where:
Base-Base interactions energy: -134.876
where: short stacking energy: -84.651
Base-Backbone interact. energy: -0.316
local terms energy: -110.579954
where:
bonds (distance) C4'-P energy: -23.079
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -25.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -169.530749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.530749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.530749 (E_RNA)
where:
Base-Base interactions energy: -74.514
where: short stacking energy: -55.283
Base-Backbone interact. energy: -0.210
local terms energy: -94.806524
where:
bonds (distance) C4'-P energy: -22.548
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -164.311904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.311904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.311904 (E_RNA)
where:
Base-Base interactions energy: -70.226
where: short stacking energy: -70.056
Base-Backbone interact. energy: -0.092
local terms energy: -93.993663
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -22.628
flat angles P-C4'-P energy: -17.021
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -172.558748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.558748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.558748 (E_RNA)
where:
Base-Base interactions energy: -90.950
where: short stacking energy: -56.221
Base-Backbone interact. energy: 1.554
local terms energy: -83.163300
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -142.482676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.482676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.482676 (E_RNA)
where:
Base-Base interactions energy: -57.699
where: short stacking energy: -57.699
Base-Backbone interact. energy: -0.142
local terms energy: -84.641507
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -149.059142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.059142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.059142 (E_RNA)
where:
Base-Base interactions energy: -79.177
where: short stacking energy: -46.123
Base-Backbone interact. energy: -0.916
local terms energy: -68.966235
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -10.623
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: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -112.480273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.480273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.480273 (E_RNA)
where:
Base-Base interactions energy: -39.413
where: short stacking energy: -32.186
Base-Backbone interact. energy: -0.367
local terms energy: -72.700305
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -111.015324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.015324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.015324 (E_RNA)
where:
Base-Base interactions energy: -45.896
where: short stacking energy: -42.358
Base-Backbone interact. energy: -0.102
local terms energy: -65.017204
where:
bonds (distance) C4'-P energy: -6.182
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -13.569
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: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -298.995093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.995093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.995093 (E_RNA)
where:
Base-Base interactions energy: -188.426
where: short stacking energy: -107.526
Base-Backbone interact. energy: -0.034
local terms energy: -110.535195
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -29.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -267.666770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.666770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.666770 (E_RNA)
where:
Base-Base interactions energy: -178.684
where: short stacking energy: -96.512
Base-Backbone interact. energy: 0.749
local terms energy: -89.732112
where:
bonds (distance) C4'-P energy: -24.103
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -20.350
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -242.003702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.003702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.003702 (E_RNA)
where:
Base-Base interactions energy: -150.106
where: short stacking energy: -78.049
Base-Backbone interact. energy: 0.159
local terms energy: -92.056143
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -186.010627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.010627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.010627 (E_RNA)
where:
Base-Base interactions energy: -94.326
where: short stacking energy: -62.989
Base-Backbone interact. energy: -0.332
local terms energy: -91.352351
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -23.756
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -19.548
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: 5, replica: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -189.463823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.463823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.463823 (E_RNA)
where:
Base-Base interactions energy: -90.105
where: short stacking energy: -57.084
Base-Backbone interact. energy: -0.453
local terms energy: -98.905085
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -25.282
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -140.367582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.367582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.367582 (E_RNA)
where:
Base-Base interactions energy: -53.500
where: short stacking energy: -50.944
Base-Backbone interact. energy: -0.279
local terms energy: -86.589028
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -16.218
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: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -211.359388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.359388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.359388 (E_RNA)
where:
Base-Base interactions energy: -115.172
where: short stacking energy: -57.865
Base-Backbone interact. energy: -0.016
local terms energy: -96.171145
where:
bonds (distance) C4'-P energy: -20.675
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -108.673929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.673929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.673929 (E_RNA)
where:
Base-Base interactions energy: -39.998
where: short stacking energy: -32.926
Base-Backbone interact. energy: -0.159
local terms energy: -68.517766
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -4.392
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: 14
Temperature: 1.300000
Total energy: -114.504776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.504776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.504776 (E_RNA)
where:
Base-Base interactions energy: -40.728
where: short stacking energy: -40.728
Base-Backbone interact. energy: -0.119
local terms energy: -73.657693
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -4.769
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: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -105.175481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.175481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.175481 (E_RNA)
where:
Base-Base interactions energy: -38.788
where: short stacking energy: -31.751
Base-Backbone interact. energy: -0.310
local terms energy: -66.077506
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: 0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -307.508321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.508321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.508321 (E_RNA)
where:
Base-Base interactions energy: -197.812
where: short stacking energy: -97.983
Base-Backbone interact. energy: -0.078
local terms energy: -109.618511
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -27.239
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -25.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -251.280808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.280808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.280808 (E_RNA)
where:
Base-Base interactions energy: -147.086
where: short stacking energy: -78.709
Base-Backbone interact. energy: -0.455
local terms energy: -103.739810
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -23.897
flat angles C4'-P-C4' energy: -25.245
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -17.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -256.431047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.431047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.431047 (E_RNA)
where:
Base-Base interactions energy: -160.631
where: short stacking energy: -101.810
Base-Backbone interact. energy: -0.115
local terms energy: -95.684648
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -26.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -165.195027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.195027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.195027 (E_RNA)
where:
Base-Base interactions energy: -67.869
where: short stacking energy: -67.869
Base-Backbone interact. energy: -0.114
local terms energy: -97.212062
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -17.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -188.896476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.896476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.896476 (E_RNA)
where:
Base-Base interactions energy: -107.738
where: short stacking energy: -51.592
Base-Backbone interact. energy: 0.271
local terms energy: -81.429496
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -216.569857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.569857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.569857 (E_RNA)
where:
Base-Base interactions energy: -134.357
where: short stacking energy: -70.085
Base-Backbone interact. energy: -1.571
local terms energy: -80.641956
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -15.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -118.947053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.947053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.947053 (E_RNA)
where:
Base-Base interactions energy: -46.641
where: short stacking energy: -45.072
Base-Backbone interact. energy: 0.388
local terms energy: -72.693578
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -113.624573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.624573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.624573 (E_RNA)
where:
Base-Base interactions energy: -31.392
where: short stacking energy: -31.308
Base-Backbone interact. energy: -0.707
local terms energy: -81.526421
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -115.717024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.717024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.717024 (E_RNA)
where:
Base-Base interactions energy: -46.305
where: short stacking energy: -41.073
Base-Backbone interact. energy: -0.617
local terms energy: -68.794577
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -24.920
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -10.389
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: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -114.528248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.528248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.528248 (E_RNA)
where:
Base-Base interactions energy: -52.501
where: short stacking energy: -52.501
Base-Backbone interact. energy: -0.106
local terms energy: -61.921311
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -5.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -297.059674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.059674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.059674 (E_RNA)
where:
Base-Base interactions energy: -185.038
where: short stacking energy: -95.861
Base-Backbone interact. energy: -0.084
local terms energy: -111.937575
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -22.433
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: -29.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -246.089506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.089506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.089506 (E_RNA)
where:
Base-Base interactions energy: -141.061
where: short stacking energy: -84.232
Base-Backbone interact. energy: -0.168
local terms energy: -104.860895
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -21.722
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: 9
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -259.051844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.051844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.051844 (E_RNA)
where:
Base-Base interactions energy: -153.797
where: short stacking energy: -92.896
Base-Backbone interact. energy: 0.515
local terms energy: -105.769521
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -22.650
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -26.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -147.920869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.920869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.920869 (E_RNA)
where:
Base-Base interactions energy: -70.832
where: short stacking energy: -54.114
Base-Backbone interact. energy: 0.247
local terms energy: -77.336307
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -8.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -212.951017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.951017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.951017 (E_RNA)
where:
Base-Base interactions energy: -133.259
where: short stacking energy: -76.312
Base-Backbone interact. energy: -0.186
local terms energy: -79.506047
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -15.906
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: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -144.542259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.542259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.542259 (E_RNA)
where:
Base-Base interactions energy: -60.601
where: short stacking energy: -51.263
Base-Backbone interact. energy: 0.582
local terms energy: -84.522990
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -123.885972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.885972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.885972 (E_RNA)
where:
Base-Base interactions energy: -44.087
where: short stacking energy: -43.677
Base-Backbone interact. energy: 0.150
local terms energy: -79.948644
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -21.323
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -128.126789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.126789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.126789 (E_RNA)
where:
Base-Base interactions energy: -49.482
where: short stacking energy: -43.796
Base-Backbone interact. energy: -0.067
local terms energy: -78.577814
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -12.516
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: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -108.825513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.825513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.825513 (E_RNA)
where:
Base-Base interactions energy: -44.275
where: short stacking energy: -32.906
Base-Backbone interact. energy: -0.284
local terms energy: -64.267143
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -110.244920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.244920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.244920 (E_RNA)
where:
Base-Base interactions energy: -40.935
where: short stacking energy: -40.935
Base-Backbone interact. energy: -0.548
local terms energy: -68.761645
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -291.699499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.699499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.699499 (E_RNA)
where:
Base-Base interactions energy: -183.747
where: short stacking energy: -92.125
Base-Backbone interact. energy: -0.068
local terms energy: -107.884801
where:
bonds (distance) C4'-P energy: -22.219
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -23.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -265.010715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.010715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.010715 (E_RNA)
where:
Base-Base interactions energy: -155.254
where: short stacking energy: -100.761
Base-Backbone interact. energy: -0.621
local terms energy: -109.135253
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -21.082
flat angles C4'-P-C4' energy: -26.084
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -27.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -242.527538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.527538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.527538 (E_RNA)
where:
Base-Base interactions energy: -146.629
where: short stacking energy: -76.639
Base-Backbone interact. energy: -0.155
local terms energy: -95.744215
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -245.592304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.592304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.592304 (E_RNA)
where:
Base-Base interactions energy: -145.443
where: short stacking energy: -76.496
Base-Backbone interact. energy: -0.141
local terms energy: -100.008168
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -24.034
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -134.888022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.888022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.888022 (E_RNA)
where:
Base-Base interactions energy: -54.541
where: short stacking energy: -42.471
Base-Backbone interact. energy: -0.430
local terms energy: -79.917620
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -23.609
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -11.073
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: 17
Temperature: 1.150000
Total energy: -139.303802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.303802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.303802 (E_RNA)
where:
Base-Base interactions energy: -55.875
where: short stacking energy: -49.649
Base-Backbone interact. energy: -0.365
local terms energy: -83.063968
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -117.045802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.045802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.045802 (E_RNA)
where:
Base-Base interactions energy: -39.124
where: short stacking energy: -38.993
Base-Backbone interact. energy: -0.161
local terms energy: -77.760319
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -126.337969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.337969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.337969 (E_RNA)
where:
Base-Base interactions energy: -51.353
where: short stacking energy: -51.353
Base-Backbone interact. energy: -0.731
local terms energy: -74.254299
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -12.536
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: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -114.828998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.828998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.828998 (E_RNA)
where:
Base-Base interactions energy: -43.886
where: short stacking energy: -41.117
Base-Backbone interact. energy: -0.084
local terms energy: -70.859091
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -25.244
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -104.690664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.690664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.690664 (E_RNA)
where:
Base-Base interactions energy: -43.620
where: short stacking energy: -30.612
Base-Backbone interact. energy: -1.440
local terms energy: -59.631015
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: 2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -293.417311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.417311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.417311 (E_RNA)
where:
Base-Base interactions energy: -186.413
where: short stacking energy: -88.957
Base-Backbone interact. energy: -0.145
local terms energy: -106.858980
where:
bonds (distance) C4'-P energy: -21.331
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -24.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -270.687866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.687866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.687866 (E_RNA)
where:
Base-Base interactions energy: -165.153
where: short stacking energy: -96.994
Base-Backbone interact. energy: -1.469
local terms energy: -104.065589
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -24.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -266.800528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.800528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.800528 (E_RNA)
where:
Base-Base interactions energy: -161.617
where: short stacking energy: -87.377
Base-Backbone interact. energy: -1.310
local terms energy: -103.873942
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -22.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -251.033172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.033172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.033172 (E_RNA)
where:
Base-Base interactions energy: -151.431
where: short stacking energy: -89.970
Base-Backbone interact. energy: -0.021
local terms energy: -99.581607
where:
bonds (distance) C4'-P energy: -21.616
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -23.441
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: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -152.888689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.888689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.888689 (E_RNA)
where:
Base-Base interactions energy: -64.872
where: short stacking energy: -64.872
Base-Backbone interact. energy: -0.026
local terms energy: -87.990272
where:
bonds (distance) C4'-P energy: -23.615
bonds (distance) P-C4' energy: -22.361
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -11.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -133.040194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.040194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.040194 (E_RNA)
where:
Base-Base interactions energy: -52.478
where: short stacking energy: -52.462
Base-Backbone interact. energy: -1.184
local terms energy: -79.378227
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -124.595799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.595799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.595799 (E_RNA)
where:
Base-Base interactions energy: -40.601
where: short stacking energy: -39.290
Base-Backbone interact. energy: 0.888
local terms energy: -84.882418
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -118.869729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.869729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.869729 (E_RNA)
where:
Base-Base interactions energy: -42.822
where: short stacking energy: -36.274
Base-Backbone interact. energy: -0.352
local terms energy: -75.695494
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -140.552036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.552036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.552036 (E_RNA)
where:
Base-Base interactions energy: -63.925
where: short stacking energy: -30.783
Base-Backbone interact. energy: -0.336
local terms energy: -76.290604
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -17.032
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: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -95.108082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.108082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.108082 (E_RNA)
where:
Base-Base interactions energy: -24.768
where: short stacking energy: -15.893
Base-Backbone interact. energy: -0.109
local terms energy: -70.231052
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -9.348
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: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -298.319027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.319027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.319027 (E_RNA)
where:
Base-Base interactions energy: -191.129
where: short stacking energy: -106.831
Base-Backbone interact. energy: -0.409
local terms energy: -106.780849
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -27.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -275.924369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.924369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.924369 (E_RNA)
where:
Base-Base interactions energy: -174.193
where: short stacking energy: -81.629
Base-Backbone interact. energy: -0.742
local terms energy: -100.989420
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -255.463007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.463007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.463007 (E_RNA)
where:
Base-Base interactions energy: -157.923
where: short stacking energy: -85.525
Base-Backbone interact. energy: -0.266
local terms energy: -97.274460
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -18.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -245.333702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.333702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.333702 (E_RNA)
where:
Base-Base interactions energy: -153.846
where: short stacking energy: -85.819
Base-Backbone interact. energy: -0.670
local terms energy: -90.816941
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -158.688062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.688062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.688062 (E_RNA)
where:
Base-Base interactions energy: -71.511
where: short stacking energy: -65.022
Base-Backbone interact. energy: -0.117
local terms energy: -87.060620
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -142.766676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.766676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.766676 (E_RNA)
where:
Base-Base interactions energy: -58.315
where: short stacking energy: -58.315
Base-Backbone interact. energy: -0.137
local terms energy: -84.314518
where:
bonds (distance) C4'-P energy: -7.013
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -17.813
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: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -131.539023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.539023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.539023 (E_RNA)
where:
Base-Base interactions energy: -53.103
where: short stacking energy: -35.584
Base-Backbone interact. energy: -0.065
local terms energy: -78.371336
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -115.724715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.724715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.724715 (E_RNA)
where:
Base-Base interactions energy: -48.412
where: short stacking energy: -32.861
Base-Backbone interact. energy: 1.126
local terms energy: -68.439276
where:
bonds (distance) C4'-P energy: -19.380
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -10.305
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: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -106.782508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.782508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.782508 (E_RNA)
where:
Base-Base interactions energy: -39.336
where: short stacking energy: -26.971
Base-Backbone interact. energy: 2.301
local terms energy: -69.747013
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -8.302
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: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -98.231691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.231691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.231691 (E_RNA)
where:
Base-Base interactions energy: -37.183
where: short stacking energy: -28.004
Base-Backbone interact. energy: 0.620
local terms energy: -61.668779
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -296.172186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.172186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.172186 (E_RNA)
where:
Base-Base interactions energy: -190.256
where: short stacking energy: -103.023
Base-Backbone interact. energy: -0.011
local terms energy: -105.904765
where:
bonds (distance) C4'-P energy: -22.800
bonds (distance) P-C4' energy: -21.854
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -28.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -292.009793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.009793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.009793 (E_RNA)
where:
Base-Base interactions energy: -179.368
where: short stacking energy: -94.797
Base-Backbone interact. energy: -0.104
local terms energy: -112.537671
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -18.535
tors. eta vs tors. theta energy: -29.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -246.763453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.763453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.763453 (E_RNA)
where:
Base-Base interactions energy: -152.775
where: short stacking energy: -72.155
Base-Backbone interact. energy: -0.184
local terms energy: -93.804709
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -238.485380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.485380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.485380 (E_RNA)
where:
Base-Base interactions energy: -142.719
where: short stacking energy: -91.399
Base-Backbone interact. energy: -0.125
local terms energy: -95.641366
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -22.395
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -160.006930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.006930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.006930 (E_RNA)
where:
Base-Base interactions energy: -71.296
where: short stacking energy: -53.488
Base-Backbone interact. energy: -0.454
local terms energy: -88.257077
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -11.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -127.010705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.010705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.010705 (E_RNA)
where:
Base-Base interactions energy: -53.886
where: short stacking energy: -51.972
Base-Backbone interact. energy: -0.025
local terms energy: -73.099523
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -20.561
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -7.139
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: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -130.988315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.988315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.988315 (E_RNA)
where:
Base-Base interactions energy: -56.726
where: short stacking energy: -53.472
Base-Backbone interact. energy: -0.257
local terms energy: -74.005576
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -9.426
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -8.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -130.491589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.491589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.491589 (E_RNA)
where:
Base-Base interactions energy: -50.956
where: short stacking energy: -50.592
Base-Backbone interact. energy: -0.160
local terms energy: -79.375822
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -13.199
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: 9, replica: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -97.632565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.632565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.632565 (E_RNA)
where:
Base-Base interactions energy: -38.372
where: short stacking energy: -30.692
Base-Backbone interact. energy: -0.483
local terms energy: -58.777714
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -106.014001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.014001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.014001 (E_RNA)
where:
Base-Base interactions energy: -49.368
where: short stacking energy: -40.686
Base-Backbone interact. energy: -0.945
local terms energy: -55.700549
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: 3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -296.516618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.516618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.516618 (E_RNA)
where:
Base-Base interactions energy: -189.360
where: short stacking energy: -92.943
Base-Backbone interact. energy: -0.067
local terms energy: -107.088846
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -26.965
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: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -268.842241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.842241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.842241 (E_RNA)
where:
Base-Base interactions energy: -166.551
where: short stacking energy: -85.064
Base-Backbone interact. energy: -0.015
local terms energy: -102.276309
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -22.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -250.836654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.836654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.836654 (E_RNA)
where:
Base-Base interactions energy: -146.528
where: short stacking energy: -82.192
Base-Backbone interact. energy: -0.610
local terms energy: -103.698717
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -24.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -243.608167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.608167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.608167 (E_RNA)
where:
Base-Base interactions energy: -146.932
where: short stacking energy: -85.529
Base-Backbone interact. energy: 0.530
local terms energy: -97.206291
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -26.015
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -201.118058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.118058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.118058 (E_RNA)
where:
Base-Base interactions energy: -118.242
where: short stacking energy: -55.575
Base-Backbone interact. energy: 0.750
local terms energy: -83.625900
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -9.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -123.975364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.975364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.975364 (E_RNA)
where:
Base-Base interactions energy: -40.431
where: short stacking energy: -39.909
Base-Backbone interact. energy: -0.468
local terms energy: -83.075776
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -9.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -133.424590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.424590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.424590 (E_RNA)
where:
Base-Base interactions energy: -52.564
where: short stacking energy: -44.649
Base-Backbone interact. energy: -0.081
local terms energy: -80.779155
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -9.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -143.494560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.494560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.494560 (E_RNA)
where:
Base-Base interactions energy: -59.305
where: short stacking energy: -59.305
Base-Backbone interact. energy: -0.080
local terms energy: -84.109163
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -16.955
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: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -125.318992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.318992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.318992 (E_RNA)
where:
Base-Base interactions energy: -42.673
where: short stacking energy: -42.673
Base-Backbone interact. energy: -0.123
local terms energy: -82.522539
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -4.834
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: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -116.453067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.453067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.453067 (E_RNA)
where:
Base-Base interactions energy: -43.463
where: short stacking energy: -38.228
Base-Backbone interact. energy: -0.300
local terms energy: -72.690686
where:
bonds (distance) C4'-P energy: -8.562
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -7.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -304.738533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.738533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.738533 (E_RNA)
where:
Base-Base interactions energy: -192.467
where: short stacking energy: -101.820
Base-Backbone interact. energy: 0.607
local terms energy: -112.879253
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -25.667
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -26.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -269.060443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.060443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.060443 (E_RNA)
where:
Base-Base interactions energy: -174.862
where: short stacking energy: -93.149
Base-Backbone interact. energy: -0.344
local terms energy: -93.853746
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -19.357
flat angles C4'-P-C4' energy: -23.745
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -259.101069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.101069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.101069 (E_RNA)
where:
Base-Base interactions energy: -160.882
where: short stacking energy: -87.322
Base-Backbone interact. energy: -0.470
local terms energy: -97.749643
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -19.606
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: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -239.618649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.618649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.618649 (E_RNA)
where:
Base-Base interactions energy: -140.328
where: short stacking energy: -78.980
Base-Backbone interact. energy: -0.104
local terms energy: -99.187429
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -25.772
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -23.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -233.793856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.793856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.793856 (E_RNA)
where:
Base-Base interactions energy: -138.838
where: short stacking energy: -75.615
Base-Backbone interact. energy: -1.238
local terms energy: -93.717265
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -143.313525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.313525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.313525 (E_RNA)
where:
Base-Base interactions energy: -53.377
where: short stacking energy: -53.377
Base-Backbone interact. energy: -0.131
local terms energy: -89.805484
where:
bonds (distance) C4'-P energy: -22.530
bonds (distance) P-C4' energy: -26.164
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -14.377
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: 7, replica: 5
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -119.866214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.866214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.866214 (E_RNA)
where:
Base-Base interactions energy: -47.836
where: short stacking energy: -46.255
Base-Backbone interact. energy: 0.130
local terms energy: -72.160723
where:
bonds (distance) C4'-P energy: -22.812
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -5.927
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: 1
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -116.825633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.825633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.825633 (E_RNA)
where:
Base-Base interactions energy: -44.697
where: short stacking energy: -44.697
Base-Backbone interact. energy: 1.061
local terms energy: -73.190170
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -107.052728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.052728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.052728 (E_RNA)
where:
Base-Base interactions energy: -50.192
where: short stacking energy: -38.434
Base-Backbone interact. energy: -0.137
local terms energy: -56.723676
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -2.707
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: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -112.453197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.453197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.453197 (E_RNA)
where:
Base-Base interactions energy: -44.131
where: short stacking energy: -44.131
Base-Backbone interact. energy: 0.595
local terms energy: -68.916787
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -298.530469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.530469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.530469 (E_RNA)
where:
Base-Base interactions energy: -190.877
where: short stacking energy: -98.248
Base-Backbone interact. energy: -0.585
local terms energy: -107.069010
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -22.459
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -26.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -277.714879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.714879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.714879 (E_RNA)
where:
Base-Base interactions energy: -174.746
where: short stacking energy: -100.378
Base-Backbone interact. energy: -0.005
local terms energy: -102.963742
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -24.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -237.715245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.715245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.715245 (E_RNA)
where:
Base-Base interactions energy: -138.728
where: short stacking energy: -68.860
Base-Backbone interact. energy: 0.088
local terms energy: -99.075717
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -20.014
flat angles P-C4'-P energy: -19.090
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: 4, replica: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -250.828564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.828564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.828564 (E_RNA)
where:
Base-Base interactions energy: -147.265
where: short stacking energy: -91.136
Base-Backbone interact. energy: -0.008
local terms energy: -103.554919
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -25.726
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -21.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -237.611979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.611979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.611979 (E_RNA)
where:
Base-Base interactions energy: -141.980
where: short stacking energy: -79.316
Base-Backbone interact. energy: -0.126
local terms energy: -95.505255
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -24.124
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -139.435627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.435627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.435627 (E_RNA)
where:
Base-Base interactions energy: -59.269
where: short stacking energy: -47.255
Base-Backbone interact. energy: -0.087
local terms energy: -80.079729
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -9.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -136.034525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.034525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.034525 (E_RNA)
where:
Base-Base interactions energy: -63.673
where: short stacking energy: -44.640
Base-Backbone interact. energy: 2.565
local terms energy: -74.926913
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -1.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -112.542859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.542859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.542859 (E_RNA)
where:
Base-Base interactions energy: -39.775
where: short stacking energy: -39.389
Base-Backbone interact. energy: -0.212
local terms energy: -72.556742
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -5.639
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: 9, replica: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -125.818972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.818972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.818972 (E_RNA)
where:
Base-Base interactions energy: -52.357
where: short stacking energy: -51.718
Base-Backbone interact. energy: -0.171
local terms energy: -73.290996
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -9.284
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: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -106.224980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.224980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.224980 (E_RNA)
where:
Base-Base interactions energy: -33.169
where: short stacking energy: -25.501
Base-Backbone interact. energy: 0.183
local terms energy: -73.239682
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -295.838001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.838001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.838001 (E_RNA)
where:
Base-Base interactions energy: -184.068
where: short stacking energy: -96.526
Base-Backbone interact. energy: -1.160
local terms energy: -110.609821
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -25.656
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -13.708
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: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -275.115273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.115273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.115273 (E_RNA)
where:
Base-Base interactions energy: -167.894
where: short stacking energy: -86.811
Base-Backbone interact. energy: -0.417
local terms energy: -106.804686
where:
bonds (distance) C4'-P energy: -22.062
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -25.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -237.846215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.846215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.846215 (E_RNA)
where:
Base-Base interactions energy: -142.533
where: short stacking energy: -75.709
Base-Backbone interact. energy: -0.317
local terms energy: -94.996733
where:
bonds (distance) C4'-P energy: -23.015
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -21.587
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -246.381273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.381273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.381273 (E_RNA)
where:
Base-Base interactions energy: -149.331
where: short stacking energy: -80.972
Base-Backbone interact. energy: 0.673
local terms energy: -97.723811
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -14.529
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: 5, replica: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -230.237520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.237520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.237520 (E_RNA)
where:
Base-Base interactions energy: -135.272
where: short stacking energy: -81.106
Base-Backbone interact. energy: -0.105
local terms energy: -94.860873
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -124.966702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.966702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.966702 (E_RNA)
where:
Base-Base interactions energy: -47.191
where: short stacking energy: -41.599
Base-Backbone interact. energy: 0.693
local terms energy: -78.469197
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -23.938
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -8.409
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: 7, replica: 1
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -107.906645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.906645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.906645 (E_RNA)
where:
Base-Base interactions energy: -33.303
where: short stacking energy: -27.847
Base-Backbone interact. energy: -0.289
local terms energy: -74.314273
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -9.549
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: 8, replica: 5
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -130.064500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.064500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.064500 (E_RNA)
where:
Base-Base interactions energy: -47.897
where: short stacking energy: -43.768
Base-Backbone interact. energy: -0.145
local terms energy: -82.022885
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -124.919465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.919465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.919465 (E_RNA)
where:
Base-Base interactions energy: -43.095
where: short stacking energy: -43.095
Base-Backbone interact. energy: -0.234
local terms energy: -81.590344
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -114.719540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.719540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.719540 (E_RNA)
where:
Base-Base interactions energy: -46.433
where: short stacking energy: -46.433
Base-Backbone interact. energy: -1.231
local terms energy: -67.055015
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -4.896
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: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -295.781548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.781548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.781548 (E_RNA)
where:
Base-Base interactions energy: -183.847
where: short stacking energy: -97.068
Base-Backbone interact. energy: 0.416
local terms energy: -112.350381
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -30.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -280.320178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.320178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.320178 (E_RNA)
where:
Base-Base interactions energy: -174.166
where: short stacking energy: -90.056
Base-Backbone interact. energy: -0.002
local terms energy: -106.152078
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -24.094
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -27.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -249.512297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.512297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.512297 (E_RNA)
where:
Base-Base interactions energy: -154.211
where: short stacking energy: -76.166
Base-Backbone interact. energy: -0.036
local terms energy: -95.264782
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -278.426216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.426216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.426216 (E_RNA)
where:
Base-Base interactions energy: -170.662
where: short stacking energy: -87.395
Base-Backbone interact. energy: -0.361
local terms energy: -107.403706
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -29.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -206.691751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.691751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.691751 (E_RNA)
where:
Base-Base interactions energy: -121.041
where: short stacking energy: -66.054
Base-Backbone interact. energy: -0.700
local terms energy: -84.950617
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -21.845
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -142.824522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.824522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.824522 (E_RNA)
where:
Base-Base interactions energy: -63.149
where: short stacking energy: -63.149
Base-Backbone interact. energy: -0.121
local terms energy: -79.554962
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -10.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -124.727610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.727610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.727610 (E_RNA)
where:
Base-Base interactions energy: -56.684
where: short stacking energy: -56.684
Base-Backbone interact. energy: -0.204
local terms energy: -67.839369
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -7.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -149.751532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.751532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.751532 (E_RNA)
where:
Base-Base interactions energy: -72.398
where: short stacking energy: -45.420
Base-Backbone interact. energy: -0.023
local terms energy: -77.330377
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -22.598
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -112.747028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.747028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.747028 (E_RNA)
where:
Base-Base interactions energy: -47.595
where: short stacking energy: -40.538
Base-Backbone interact. energy: -0.183
local terms energy: -64.969193
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -104.873701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.873701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.873701 (E_RNA)
where:
Base-Base interactions energy: -34.945
where: short stacking energy: -34.113
Base-Backbone interact. energy: -0.262
local terms energy: -69.666301
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -0.942
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: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -295.818438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.818438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.818438 (E_RNA)
where:
Base-Base interactions energy: -186.774
where: short stacking energy: -98.601
Base-Backbone interact. energy: -0.590
local terms energy: -108.453845
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -23.802
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -26.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -276.491545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.491545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.491545 (E_RNA)
where:
Base-Base interactions energy: -169.245
where: short stacking energy: -92.134
Base-Backbone interact. energy: -0.163
local terms energy: -107.083274
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -25.209
flat angles P-C4'-P energy: -15.564
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: 3, replica: 9
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -286.214983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.214983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.214983 (E_RNA)
where:
Base-Base interactions energy: -185.308
where: short stacking energy: -100.078
Base-Backbone interact. energy: 0.750
local terms energy: -101.657285
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -20.187
tors. eta vs tors. theta energy: -25.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -248.265210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.265210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.265210 (E_RNA)
where:
Base-Base interactions energy: -149.357
where: short stacking energy: -81.955
Base-Backbone interact. energy: -0.093
local terms energy: -98.815607
where:
bonds (distance) C4'-P energy: -22.423
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -15.247
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: 5, replica: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -215.297609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.297609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.297609 (E_RNA)
where:
Base-Base interactions energy: -128.554
where: short stacking energy: -80.259
Base-Backbone interact. energy: -0.412
local terms energy: -86.330930
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -133.038419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.038419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.038419 (E_RNA)
where:
Base-Base interactions energy: -51.706
where: short stacking energy: -46.415
Base-Backbone interact. energy: -0.365
local terms energy: -80.968306
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -11.469
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: 7, replica: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -133.223056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.223056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.223056 (E_RNA)
where:
Base-Base interactions energy: -45.036
where: short stacking energy: -44.307
Base-Backbone interact. energy: 0.248
local terms energy: -88.434906
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -15.300
tors. eta vs tors. theta energy: -8.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -119.280912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.280912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.280912 (E_RNA)
where:
Base-Base interactions energy: -42.291
where: short stacking energy: -42.291
Base-Backbone interact. energy: -0.210
local terms energy: -76.779630
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -11.558
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: 9, replica: 5
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -116.136268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.136268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.136268 (E_RNA)
where:
Base-Base interactions energy: -54.983
where: short stacking energy: -51.368
Base-Backbone interact. energy: -0.326
local terms energy: -60.826680
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -9.638
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: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -126.480413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.480413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.480413 (E_RNA)
where:
Base-Base interactions energy: -51.546
where: short stacking energy: -50.605
Base-Backbone interact. energy: -0.367
local terms energy: -74.567612
where:
bonds (distance) C4'-P energy: -22.642
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -295.388409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.388409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.388409 (E_RNA)
where:
Base-Base interactions energy: -189.356
where: short stacking energy: -101.894
Base-Backbone interact. energy: -0.274
local terms energy: -105.758199
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -20.783
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -30.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -284.380442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.380442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.380442 (E_RNA)
where:
Base-Base interactions energy: -169.594
where: short stacking energy: -96.160
Base-Backbone interact. energy: -0.259
local terms energy: -114.527735
where:
bonds (distance) C4'-P energy: -25.814
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -29.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -282.078900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.078900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.078900 (E_RNA)
where:
Base-Base interactions energy: -172.222
where: short stacking energy: -93.787
Base-Backbone interact. energy: -0.277
local terms energy: -109.579515
where:
bonds (distance) C4'-P energy: -23.085
bonds (distance) P-C4' energy: -25.087
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -27.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -249.171921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.171921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.171921 (E_RNA)
where:
Base-Base interactions energy: -155.117
where: short stacking energy: -79.797
Base-Backbone interact. energy: 0.320
local terms energy: -94.374980
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -16.355
tors. eta vs tors. theta energy: -20.608
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: 27
Temperature: 1.100000
Total energy: -217.754565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.754565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.754565 (E_RNA)
where:
Base-Base interactions energy: -129.046
where: short stacking energy: -67.569
Base-Backbone interact. energy: -0.221
local terms energy: -88.488086
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -21.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -147.232920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.232920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.232920 (E_RNA)
where:
Base-Base interactions energy: -60.716
where: short stacking energy: -60.716
Base-Backbone interact. energy: -0.046
local terms energy: -86.470682
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -129.258815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.258815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.258815 (E_RNA)
where:
Base-Base interactions energy: -56.802
where: short stacking energy: -28.209
Base-Backbone interact. energy: 1.108
local terms energy: -73.564930
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -0.597
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: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -115.496612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.496612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.496612 (E_RNA)
where:
Base-Base interactions energy: -45.350
where: short stacking energy: -40.630
Base-Backbone interact. energy: -0.067
local terms energy: -70.079185
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -111.297193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.297193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.297193 (E_RNA)
where:
Base-Base interactions energy: -45.792
where: short stacking energy: -44.306
Base-Backbone interact. energy: -0.194
local terms energy: -65.310783
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -3.928
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: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -118.510818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.510818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.510818 (E_RNA)
where:
Base-Base interactions energy: -55.220
where: short stacking energy: -34.588
Base-Backbone interact. energy: -0.611
local terms energy: -62.680215
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -283.533682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.533682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.533682 (E_RNA)
where:
Base-Base interactions energy: -172.711
where: short stacking energy: -91.307
Base-Backbone interact. energy: -0.132
local terms energy: -110.690964
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -23.051
flat angles P-C4'-P energy: -16.313
tors. eta vs tors. theta energy: -27.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -280.468142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.468142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.468142 (E_RNA)
where:
Base-Base interactions energy: -179.649
where: short stacking energy: -87.317
Base-Backbone interact. energy: -0.382
local terms energy: -100.436758
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -26.370
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: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -277.591300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.591300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.591300 (E_RNA)
where:
Base-Base interactions energy: -163.148
where: short stacking energy: -87.443
Base-Backbone interact. energy: -0.093
local terms energy: -114.350512
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -27.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -243.162783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.162783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.162783 (E_RNA)
where:
Base-Base interactions energy: -151.596
where: short stacking energy: -75.850
Base-Backbone interact. energy: -0.216
local terms energy: -91.351000
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -21.649
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -14.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -239.139426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.139426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.139426 (E_RNA)
where:
Base-Base interactions energy: -141.892
where: short stacking energy: -82.671
Base-Backbone interact. energy: 0.546
local terms energy: -97.793252
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -21.683
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: 4
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -153.291990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.291990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.291990 (E_RNA)
where:
Base-Base interactions energy: -64.552
where: short stacking energy: -50.380
Base-Backbone interact. energy: 0.852
local terms energy: -89.592336
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -126.303684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.303684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.303684 (E_RNA)
where:
Base-Base interactions energy: -41.399
where: short stacking energy: -40.865
Base-Backbone interact. energy: 0.631
local terms energy: -85.535510
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -11.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -122.691414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.691414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.691414 (E_RNA)
where:
Base-Base interactions energy: -45.762
where: short stacking energy: -43.931
Base-Backbone interact. energy: -0.198
local terms energy: -76.730753
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -22.522
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -6.721
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: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -132.288643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.288643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.288643 (E_RNA)
where:
Base-Base interactions energy: -65.517
where: short stacking energy: -28.691
Base-Backbone interact. energy: -0.055
local terms energy: -66.716743
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -126.745301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.745301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.745301 (E_RNA)
where:
Base-Base interactions energy: -68.444
where: short stacking energy: -39.455
Base-Backbone interact. energy: -0.169
local terms energy: -58.132032
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: 2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -284.675619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.675619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.675619 (E_RNA)
where:
Base-Base interactions energy: -178.451
where: short stacking energy: -90.334
Base-Backbone interact. energy: -0.179
local terms energy: -106.046027
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -26.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -292.682143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.682143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.682143 (E_RNA)
where:
Base-Base interactions energy: -174.674
where: short stacking energy: -106.008
Base-Backbone interact. energy: -0.414
local terms energy: -117.593525
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -24.920
flat angles C4'-P-C4' energy: -25.518
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -29.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -288.306114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.306114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.306114 (E_RNA)
where:
Base-Base interactions energy: -177.032
where: short stacking energy: -99.586
Base-Backbone interact. energy: -0.368
local terms energy: -110.905557
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -24.534
flat angles P-C4'-P energy: -17.381
tors. eta vs tors. theta energy: -26.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -254.275122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.275122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.275122 (E_RNA)
where:
Base-Base interactions energy: -152.382
where: short stacking energy: -85.478
Base-Backbone interact. energy: -0.387
local terms energy: -101.506691
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -24.790
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -233.620708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.620708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.620708 (E_RNA)
where:
Base-Base interactions energy: -135.570
where: short stacking energy: -73.784
Base-Backbone interact. energy: -0.219
local terms energy: -97.831752
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -143.948687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.948687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.948687 (E_RNA)
where:
Base-Base interactions energy: -51.023
where: short stacking energy: -51.023
Base-Backbone interact. energy: -0.190
local terms energy: -92.735634
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -9.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -129.059498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.059498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.059498 (E_RNA)
where:
Base-Base interactions energy: -62.040
where: short stacking energy: -40.173
Base-Backbone interact. energy: -0.785
local terms energy: -66.234256
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: 1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -128.792358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.792358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.792358 (E_RNA)
where:
Base-Base interactions energy: -54.060
where: short stacking energy: -33.946
Base-Backbone interact. energy: -0.011
local terms energy: -74.721216
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -115.162049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.162049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.162049 (E_RNA)
where:
Base-Base interactions energy: -44.677
where: short stacking energy: -44.609
Base-Backbone interact. energy: -0.186
local terms energy: -70.298286
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -6.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -132.978911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.978911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.978911 (E_RNA)
where:
Base-Base interactions energy: -61.427
where: short stacking energy: -32.513
Base-Backbone interact. energy: -0.475
local terms energy: -71.077662
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -3.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -303.264561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.264561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.264561 (E_RNA)
where:
Base-Base interactions energy: -177.500
where: short stacking energy: -110.111
Base-Backbone interact. energy: -0.180
local terms energy: -125.585093
where:
bonds (distance) C4'-P energy: -25.408
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: -33.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -280.623776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.623776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.623776 (E_RNA)
where:
Base-Base interactions energy: -173.729
where: short stacking energy: -95.532
Base-Backbone interact. energy: -0.750
local terms energy: -106.145105
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -23.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -292.995135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.995135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.995135 (E_RNA)
where:
Base-Base interactions energy: -191.342
where: short stacking energy: -104.001
Base-Backbone interact. energy: -0.185
local terms energy: -101.468731
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -21.096
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -28.507
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: 30
Temperature: 1.050000
Total energy: -256.817963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.817963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.817963 (E_RNA)
where:
Base-Base interactions energy: -160.963
where: short stacking energy: -85.181
Base-Backbone interact. energy: -0.027
local terms energy: -95.827807
where:
bonds (distance) C4'-P energy: -19.992
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -22.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -221.538785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.538785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.538785 (E_RNA)
where:
Base-Base interactions energy: -133.782
where: short stacking energy: -75.507
Base-Backbone interact. energy: -0.066
local terms energy: -87.690742
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -13.814
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: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -133.251322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.251322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.251322 (E_RNA)
where:
Base-Base interactions energy: -53.193
where: short stacking energy: -50.995
Base-Backbone interact. energy: -1.248
local terms energy: -78.810585
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -120.820021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.820021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.820021 (E_RNA)
where:
Base-Base interactions energy: -47.437
where: short stacking energy: -34.912
Base-Backbone interact. energy: -0.299
local terms energy: -73.084134
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -120.318204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.318204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.318204 (E_RNA)
where:
Base-Base interactions energy: -36.743
where: short stacking energy: -36.743
Base-Backbone interact. energy: -0.225
local terms energy: -83.349758
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -26.594
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -141.337285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.337285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.337285 (E_RNA)
where:
Base-Base interactions energy: -76.038
where: short stacking energy: -32.685
Base-Backbone interact. energy: -2.139
local terms energy: -63.160407
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -10.659
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: 10, replica: 5
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -105.698440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.698440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.698440 (E_RNA)
where:
Base-Base interactions energy: -41.983
where: short stacking energy: -35.972
Base-Backbone interact. energy: -0.296
local terms energy: -63.419407
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -10.173
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -306.258315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.258315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.258315 (E_RNA)
where:
Base-Base interactions energy: -184.350
where: short stacking energy: -103.453
Base-Backbone interact. energy: -0.315
local terms energy: -121.592975
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -25.884
flat angles C4'-P-C4' energy: -24.652
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -31.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -309.273869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.273869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.273869 (E_RNA)
where:
Base-Base interactions energy: -203.219
where: short stacking energy: -106.030
Base-Backbone interact. energy: 1.342
local terms energy: -107.397734
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -26.296
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -29.563
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: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -289.588576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.588576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.588576 (E_RNA)
where:
Base-Base interactions energy: -177.517
where: short stacking energy: -86.362
Base-Backbone interact. energy: -0.846
local terms energy: -111.225868
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -20.155
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: 4, replica: 8
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -267.808331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.808331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.808331 (E_RNA)
where:
Base-Base interactions energy: -166.286
where: short stacking energy: -92.384
Base-Backbone interact. energy: -0.486
local terms energy: -101.035815
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -229.048063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.048063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.048063 (E_RNA)
where:
Base-Base interactions energy: -124.691
where: short stacking energy: -68.501
Base-Backbone interact. energy: -0.236
local terms energy: -104.120897
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -23.093
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -21.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -132.509603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.509603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.509603 (E_RNA)
where:
Base-Base interactions energy: -44.518
where: short stacking energy: -44.144
Base-Backbone interact. energy: -0.211
local terms energy: -87.781039
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -10.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -120.711963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.711963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.711963 (E_RNA)
where:
Base-Base interactions energy: -48.648
where: short stacking energy: -44.750
Base-Backbone interact. energy: -0.257
local terms energy: -71.806622
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -5.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -185.949904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.949904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.949904 (E_RNA)
where:
Base-Base interactions energy: -114.340
where: short stacking energy: -62.410
Base-Backbone interact. energy: -0.658
local terms energy: -70.951983
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -19.688
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -6.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -114.509123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.509123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.509123 (E_RNA)
where:
Base-Base interactions energy: -35.543
where: short stacking energy: -33.123
Base-Backbone interact. energy: -0.283
local terms energy: -78.683042
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -22.601
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -100.185826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.185826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.185826 (E_RNA)
where:
Base-Base interactions energy: -37.557
where: short stacking energy: -37.557
Base-Backbone interact. energy: -0.344
local terms energy: -62.284900
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -3.498
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -302.324693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.324693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.324693 (E_RNA)
where:
Base-Base interactions energy: -193.166
where: short stacking energy: -109.050
Base-Backbone interact. energy: 0.701
local terms energy: -109.860024
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -22.149
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -27.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -294.796548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.796548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.796548 (E_RNA)
where:
Base-Base interactions energy: -183.324
where: short stacking energy: -104.431
Base-Backbone interact. energy: -0.201
local terms energy: -111.271719
where:
bonds (distance) C4'-P energy: -24.057
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -22.572
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -32.385
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: 32
Temperature: 1.000000
Total energy: -261.404956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.404956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.404956 (E_RNA)
where:
Base-Base interactions energy: -155.864
where: short stacking energy: -84.687
Base-Backbone interact. energy: -1.246
local terms energy: -104.294736
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -23.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -278.460350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.460350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.460350 (E_RNA)
where:
Base-Base interactions energy: -174.226
where: short stacking energy: -92.959
Base-Backbone interact. energy: -0.513
local terms energy: -103.721201
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -24.529
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -22.466
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: 32
Temperature: 1.100000
Total energy: -243.356381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.356381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.356381 (E_RNA)
where:
Base-Base interactions energy: -137.456
where: short stacking energy: -82.248
Base-Backbone interact. energy: -0.138
local terms energy: -105.763084
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -21.967
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -18.997
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: 6, replica: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -140.173342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.173342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.173342 (E_RNA)
where:
Base-Base interactions energy: -61.214
where: short stacking energy: -61.214
Base-Backbone interact. energy: -0.143
local terms energy: -78.816976
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -23.786
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -192.303434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.303434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.303434 (E_RNA)
where:
Base-Base interactions energy: -120.334
where: short stacking energy: -54.366
Base-Backbone interact. energy: 0.545
local terms energy: -72.514756
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -8.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -120.856032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.856032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.856032 (E_RNA)
where:
Base-Base interactions energy: -45.752
where: short stacking energy: -41.232
Base-Backbone interact. energy: -0.038
local terms energy: -75.066002
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -108.229496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.229496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.229496 (E_RNA)
where:
Base-Base interactions energy: -43.644
where: short stacking energy: -40.546
Base-Backbone interact. energy: -0.355
local terms energy: -64.230605
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -131.017951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.017951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.017951 (E_RNA)
where:
Base-Base interactions energy: -58.470
where: short stacking energy: -34.377
Base-Backbone interact. energy: 0.357
local terms energy: -72.904918
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -315.176503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.176503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.176503 (E_RNA)
where:
Base-Base interactions energy: -197.975
where: short stacking energy: -104.958
Base-Backbone interact. energy: -0.370
local terms energy: -116.832076
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -18.750
tors. eta vs tors. theta energy: -25.861
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: 33
Temperature: 0.950000
Total energy: -296.926011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.926011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.926011 (E_RNA)
where:
Base-Base interactions energy: -179.829
where: short stacking energy: -94.439
Base-Backbone interact. energy: -0.019
local terms energy: -117.077308
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -25.050
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -31.215
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: 33
Temperature: 1.000000
Total energy: -255.957959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.957959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.957959 (E_RNA)
where:
Base-Base interactions energy: -156.865
where: short stacking energy: -86.383
Base-Backbone interact. energy: -0.338
local terms energy: -98.754712
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -24.216
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -23.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -252.947919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.947919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.947919 (E_RNA)
where:
Base-Base interactions energy: -151.538
where: short stacking energy: -80.200
Base-Backbone interact. energy: -0.626
local terms energy: -100.783778
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -25.527
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -229.712005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.712005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.712005 (E_RNA)
where:
Base-Base interactions energy: -137.391
where: short stacking energy: -79.895
Base-Backbone interact. energy: 0.076
local terms energy: -92.396268
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -188.037830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.037830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.037830 (E_RNA)
where:
Base-Base interactions energy: -105.426
where: short stacking energy: -63.438
Base-Backbone interact. energy: -0.372
local terms energy: -82.239269
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -22.361
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -9.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -124.513097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.513097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.513097 (E_RNA)
where:
Base-Base interactions energy: -54.472
where: short stacking energy: -52.707
Base-Backbone interact. energy: -0.193
local terms energy: -69.847705
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -16.966
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: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -130.284725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.284725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.284725 (E_RNA)
where:
Base-Base interactions energy: -47.395
where: short stacking energy: -47.395
Base-Backbone interact. energy: -0.265
local terms energy: -82.625280
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -15.995
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: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -127.753065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.753065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.753065 (E_RNA)
where:
Base-Base interactions energy: -44.854
where: short stacking energy: -40.306
Base-Backbone interact. energy: -0.095
local terms energy: -82.804208
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -6.985
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: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -160.721703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.721703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.721703 (E_RNA)
where:
Base-Base interactions energy: -74.414
where: short stacking energy: -47.649
Base-Backbone interact. energy: -1.151
local terms energy: -85.157440
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: -2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -309.344958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.344958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.344958 (E_RNA)
where:
Base-Base interactions energy: -189.397
where: short stacking energy: -97.725
Base-Backbone interact. energy: -0.639
local terms energy: -119.308772
where:
bonds (distance) C4'-P energy: -23.470
bonds (distance) P-C4' energy: -25.487
flat angles C4'-P-C4' energy: -24.331
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -28.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -286.038870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.038870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.038870 (E_RNA)
where:
Base-Base interactions energy: -176.087
where: short stacking energy: -87.728
Base-Backbone interact. energy: -0.374
local terms energy: -109.578706
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -23.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -274.608217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.608217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.608217 (E_RNA)
where:
Base-Base interactions energy: -171.062
where: short stacking energy: -80.883
Base-Backbone interact. energy: -0.319
local terms energy: -103.227523
where:
bonds (distance) C4'-P energy: -25.026
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -22.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -255.503190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.503190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.503190 (E_RNA)
where:
Base-Base interactions energy: -149.659
where: short stacking energy: -79.576
Base-Backbone interact. energy: -2.325
local terms energy: -103.518523
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -230.118627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.118627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.118627 (E_RNA)
where:
Base-Base interactions energy: -130.335
where: short stacking energy: -80.420
Base-Backbone interact. energy: -0.061
local terms energy: -99.722486
where:
bonds (distance) C4'-P energy: -24.923
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -22.495
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -220.049088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.049088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.049088 (E_RNA)
where:
Base-Base interactions energy: -129.581
where: short stacking energy: -74.718
Base-Backbone interact. energy: -0.132
local terms energy: -90.335846
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -18.828
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: 7, replica: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -125.669151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.669151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.669151 (E_RNA)
where:
Base-Base interactions energy: -48.963
where: short stacking energy: -34.168
Base-Backbone interact. energy: -0.490
local terms energy: -76.216525
where:
bonds (distance) C4'-P energy: -22.419
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -116.041226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.041226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.041226 (E_RNA)
where:
Base-Base interactions energy: -39.936
where: short stacking energy: -39.936
Base-Backbone interact. energy: 0.182
local terms energy: -76.287940
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -171.498757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.498757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.498757 (E_RNA)
where:
Base-Base interactions energy: -86.701
where: short stacking energy: -49.601
Base-Backbone interact. energy: -0.221
local terms energy: -84.576418
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -16.262
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: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -105.886056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.886056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.886056 (E_RNA)
where:
Base-Base interactions energy: -35.468
where: short stacking energy: -35.290
Base-Backbone interact. energy: -0.661
local terms energy: -69.757196
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -23.482
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: 1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -304.800511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.800511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.800511 (E_RNA)
where:
Base-Base interactions energy: -195.267
where: short stacking energy: -104.736
Base-Backbone interact. energy: -0.509
local terms energy: -109.023922
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -30.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -280.606579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.606579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.606579 (E_RNA)
where:
Base-Base interactions energy: -175.313
where: short stacking energy: -97.810
Base-Backbone interact. energy: -0.017
local terms energy: -105.276912
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -23.132
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: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -280.068064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.068064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.068064 (E_RNA)
where:
Base-Base interactions energy: -171.106
where: short stacking energy: -92.781
Base-Backbone interact. energy: -0.155
local terms energy: -108.806458
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -22.259
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -29.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -253.600478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.600478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.600478 (E_RNA)
where:
Base-Base interactions energy: -152.761
where: short stacking energy: -87.382
Base-Backbone interact. energy: -0.001
local terms energy: -100.837633
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -25.145
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: 5, replica: 8
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -224.716149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.716149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.716149 (E_RNA)
where:
Base-Base interactions energy: -136.114
where: short stacking energy: -61.191
Base-Backbone interact. energy: -0.960
local terms energy: -87.641927
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -215.051146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.051146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.051146 (E_RNA)
where:
Base-Base interactions energy: -126.889
where: short stacking energy: -70.235
Base-Backbone interact. energy: -0.287
local terms energy: -87.874904
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -128.613081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.613081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.613081 (E_RNA)
where:
Base-Base interactions energy: -49.040
where: short stacking energy: -49.040
Base-Backbone interact. energy: -0.616
local terms energy: -78.956879
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -12.271
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: 4
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -111.823956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.823956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.823956 (E_RNA)
where:
Base-Base interactions energy: -42.499
where: short stacking energy: -42.243
Base-Backbone interact. energy: -0.373
local terms energy: -68.951264
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -119.567591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.567591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.567591 (E_RNA)
where:
Base-Base interactions energy: -57.156
where: short stacking energy: -43.173
Base-Backbone interact. energy: -0.555
local terms energy: -61.856921
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -101.574110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.574110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.574110 (E_RNA)
where:
Base-Base interactions energy: -35.422
where: short stacking energy: -34.299
Base-Backbone interact. energy: -0.358
local terms energy: -65.794236
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -1.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -300.260109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.260109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.260109 (E_RNA)
where:
Base-Base interactions energy: -193.375
where: short stacking energy: -99.258
Base-Backbone interact. energy: -0.250
local terms energy: -106.635110
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -23.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -296.838223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.838223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.838223 (E_RNA)
where:
Base-Base interactions energy: -192.140
where: short stacking energy: -92.055
Base-Backbone interact. energy: -0.335
local terms energy: -104.363423
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -23.131
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -26.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -268.725832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.725832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.725832 (E_RNA)
where:
Base-Base interactions energy: -169.933
where: short stacking energy: -85.638
Base-Backbone interact. energy: -0.568
local terms energy: -98.225055
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -24.385
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: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -243.656477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.656477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.656477 (E_RNA)
where:
Base-Base interactions energy: -139.360
where: short stacking energy: -74.861
Base-Backbone interact. energy: -0.137
local terms energy: -104.159468
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -218.753442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.753442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.753442 (E_RNA)
where:
Base-Base interactions energy: -128.136
where: short stacking energy: -55.372
Base-Backbone interact. energy: -0.206
local terms energy: -90.411052
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -15.477
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: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -213.867984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.867984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.867984 (E_RNA)
where:
Base-Base interactions energy: -126.069
where: short stacking energy: -61.286
Base-Backbone interact. energy: -0.363
local terms energy: -87.435202
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -138.567466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.567466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.567466 (E_RNA)
where:
Base-Base interactions energy: -46.253
where: short stacking energy: -47.653
Base-Backbone interact. energy: -0.041
local terms energy: -92.273236
where:
bonds (distance) C4'-P energy: -23.978
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -123.877831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.877831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.877831 (E_RNA)
where:
Base-Base interactions energy: -53.383
where: short stacking energy: -40.872
Base-Backbone interact. energy: -0.128
local terms energy: -70.366914
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -128.509329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.509329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.509329 (E_RNA)
where:
Base-Base interactions energy: -52.118
where: short stacking energy: -52.718
Base-Backbone interact. energy: -0.144
local terms energy: -76.248306
where:
bonds (distance) C4'-P energy: -17.919
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -5.312
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: 10, replica: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -116.934402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.934402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.934402 (E_RNA)
where:
Base-Base interactions energy: -43.568
where: short stacking energy: -42.716
Base-Backbone interact. energy: -0.299
local terms energy: -73.066690
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -296.023791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.023791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.023791 (E_RNA)
where:
Base-Base interactions energy: -194.178
where: short stacking energy: -90.863
Base-Backbone interact. energy: -0.252
local terms energy: -101.593855
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -24.981
flat angles C4'-P-C4' energy: -24.179
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -25.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -298.490933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.490933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.490933 (E_RNA)
where:
Base-Base interactions energy: -188.419
where: short stacking energy: -88.284
Base-Backbone interact. energy: -0.702
local terms energy: -109.369947
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -27.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -276.479253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.479253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.479253 (E_RNA)
where:
Base-Base interactions energy: -168.407
where: short stacking energy: -99.063
Base-Backbone interact. energy: -1.095
local terms energy: -106.977601
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -22.053
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -27.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -247.799986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.799986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.799986 (E_RNA)
where:
Base-Base interactions energy: -150.001
where: short stacking energy: -91.675
Base-Backbone interact. energy: -0.024
local terms energy: -97.774485
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -13.682
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: 5, replica: 8
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -235.019389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.019389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.019389 (E_RNA)
where:
Base-Base interactions energy: -142.882
where: short stacking energy: -76.863
Base-Backbone interact. energy: 0.953
local terms energy: -93.090947
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -23.270
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -193.700622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.700622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.700622 (E_RNA)
where:
Base-Base interactions energy: -103.256
where: short stacking energy: -62.298
Base-Backbone interact. energy: -0.788
local terms energy: -89.656667
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -26.125
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -139.803043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.803043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.803043 (E_RNA)
where:
Base-Base interactions energy: -64.607
where: short stacking energy: -41.624
Base-Backbone interact. energy: -0.383
local terms energy: -74.813547
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -14.522
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: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -118.375310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.375310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.375310 (E_RNA)
where:
Base-Base interactions energy: -49.368
where: short stacking energy: -49.213
Base-Backbone interact. energy: -0.650
local terms energy: -68.357662
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -8.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -107.994086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.994086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.994086 (E_RNA)
where:
Base-Base interactions energy: -39.519
where: short stacking energy: -29.421
Base-Backbone interact. energy: -0.106
local terms energy: -68.368924
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -4.447
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: 10, replica: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -101.858416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.858416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.858416 (E_RNA)
where:
Base-Base interactions energy: -34.346
where: short stacking energy: -31.516
Base-Backbone interact. energy: -0.534
local terms energy: -66.977881
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -308.741745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.741745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.741745 (E_RNA)
where:
Base-Base interactions energy: -192.773
where: short stacking energy: -98.071
Base-Backbone interact. energy: -0.046
local terms energy: -115.922727
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -30.680
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: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -297.232566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.232566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.232566 (E_RNA)
where:
Base-Base interactions energy: -187.360
where: short stacking energy: -101.162
Base-Backbone interact. energy: -0.008
local terms energy: -109.864769
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: -25.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -261.166976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.166976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.166976 (E_RNA)
where:
Base-Base interactions energy: -159.471
where: short stacking energy: -84.880
Base-Backbone interact. energy: -0.694
local terms energy: -101.001974
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -18.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -237.884721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.884721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.884721 (E_RNA)
where:
Base-Base interactions energy: -142.956
where: short stacking energy: -68.228
Base-Backbone interact. energy: -0.218
local terms energy: -94.710182
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -229.096920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.096920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.096920 (E_RNA)
where:
Base-Base interactions energy: -141.387
where: short stacking energy: -73.680
Base-Backbone interact. energy: -0.505
local terms energy: -87.205119
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -224.143878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.143878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.143878 (E_RNA)
where:
Base-Base interactions energy: -129.941
where: short stacking energy: -74.345
Base-Backbone interact. energy: -0.467
local terms energy: -93.736040
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -125.808783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.808783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.808783 (E_RNA)
where:
Base-Base interactions energy: -46.833
where: short stacking energy: -46.833
Base-Backbone interact. energy: 1.711
local terms energy: -80.686135
where:
bonds (distance) C4'-P energy: -23.716
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -14.180
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: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -123.254044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.254044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.254044 (E_RNA)
where:
Base-Base interactions energy: -47.894
where: short stacking energy: -47.894
Base-Backbone interact. energy: -0.039
local terms energy: -75.321478
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -6.633
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: 5
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -121.245478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.245478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.245478 (E_RNA)
where:
Base-Base interactions energy: -44.522
where: short stacking energy: -44.357
Base-Backbone interact. energy: -0.097
local terms energy: -76.626742
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -20.972
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -10.094
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: 10, replica: 1
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -114.927806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.927806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.927806 (E_RNA)
where:
Base-Base interactions energy: -45.682
where: short stacking energy: -43.595
Base-Backbone interact. energy: -0.025
local terms energy: -69.220988
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -17.810
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -8.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -308.581382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.581382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.581382 (E_RNA)
where:
Base-Base interactions energy: -198.081
where: short stacking energy: -102.968
Base-Backbone interact. energy: -0.145
local terms energy: -110.355375
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -26.266
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -30.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -292.524317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.524317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.524317 (E_RNA)
where:
Base-Base interactions energy: -174.951
where: short stacking energy: -100.450
Base-Backbone interact. energy: -0.019
local terms energy: -117.554138
where:
bonds (distance) C4'-P energy: -22.548
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -27.602
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: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -251.937701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.937701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.937701 (E_RNA)
where:
Base-Base interactions energy: -145.552
where: short stacking energy: -78.169
Base-Backbone interact. energy: 0.808
local terms energy: -107.193742
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -25.628
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -254.721335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.721335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.721335 (E_RNA)
where:
Base-Base interactions energy: -146.828
where: short stacking energy: -80.286
Base-Backbone interact. energy: -0.025
local terms energy: -107.868096
where:
bonds (distance) C4'-P energy: -22.199
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -17.899
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: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -219.406286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.406286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.406286 (E_RNA)
where:
Base-Base interactions energy: -124.460
where: short stacking energy: -81.691
Base-Backbone interact. energy: 0.565
local terms energy: -95.511828
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -222.903674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.903674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.903674 (E_RNA)
where:
Base-Base interactions energy: -136.270
where: short stacking energy: -73.622
Base-Backbone interact. energy: 1.991
local terms energy: -88.625191
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -19.460
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -140.303038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.303038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.303038 (E_RNA)
where:
Base-Base interactions energy: -64.398
where: short stacking energy: -64.382
Base-Backbone interact. energy: 0.141
local terms energy: -76.045967
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -13.764
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: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -117.893370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.893370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.893370 (E_RNA)
where:
Base-Base interactions energy: -43.289
where: short stacking energy: -43.989
Base-Backbone interact. energy: -0.120
local terms energy: -74.484575
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -23.490
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -2.155
tors. eta vs tors. theta energy: -11.002
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: 39
Temperature: 1.300000
Total energy: -111.206389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.206389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.206389 (E_RNA)
where:
Base-Base interactions energy: -34.695
where: short stacking energy: -34.013
Base-Backbone interact. energy: -0.183
local terms energy: -76.329348
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -14.730
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: 10, replica: 1
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -115.183469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.183469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.183469 (E_RNA)
where:
Base-Base interactions energy: -41.527
where: short stacking energy: -32.497
Base-Backbone interact. energy: -0.617
local terms energy: -73.039247
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -295.560363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.560363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.560363 (E_RNA)
where:
Base-Base interactions energy: -185.226
where: short stacking energy: -104.277
Base-Backbone interact. energy: -0.103
local terms energy: -110.231784
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -25.429
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -24.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -295.361808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.361808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.361808 (E_RNA)
where:
Base-Base interactions energy: -185.382
where: short stacking energy: -94.382
Base-Backbone interact. energy: -0.113
local terms energy: -109.866741
where:
bonds (distance) C4'-P energy: -24.840
bonds (distance) P-C4' energy: -24.237
flat angles C4'-P-C4' energy: -25.459
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -21.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -272.513068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.513068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.513068 (E_RNA)
where:
Base-Base interactions energy: -155.555
where: short stacking energy: -89.419
Base-Backbone interact. energy: -0.008
local terms energy: -116.950020
where:
bonds (distance) C4'-P energy: -25.271
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -26.822
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -27.807
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: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -261.878654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.878654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.878654 (E_RNA)
where:
Base-Base interactions energy: -158.224
where: short stacking energy: -81.320
Base-Backbone interact. energy: -0.021
local terms energy: -103.633108
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -26.061
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -24.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -252.997253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.997253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.997253 (E_RNA)
where:
Base-Base interactions energy: -151.970
where: short stacking energy: -83.242
Base-Backbone interact. energy: -0.164
local terms energy: -100.863382
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -23.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -190.239392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.239392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.239392 (E_RNA)
where:
Base-Base interactions energy: -99.103
where: short stacking energy: -51.685
Base-Backbone interact. energy: -0.862
local terms energy: -90.274344
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -124.466572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.466572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.466572 (E_RNA)
where:
Base-Base interactions energy: -42.968
where: short stacking energy: -41.831
Base-Backbone interact. energy: -0.069
local terms energy: -81.429731
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: -8.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -126.856227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.856227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.856227 (E_RNA)
where:
Base-Base interactions energy: -56.473
where: short stacking energy: -53.429
Base-Backbone interact. energy: -0.261
local terms energy: -70.122672
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -124.163698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.163698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.163698 (E_RNA)
where:
Base-Base interactions energy: -49.651
where: short stacking energy: -47.904
Base-Backbone interact. energy: -0.399
local terms energy: -74.113356
where:
bonds (distance) C4'-P energy: -20.663
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -5.495
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: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -100.430220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.430220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.430220 (E_RNA)
where:
Base-Base interactions energy: -39.240
where: short stacking energy: -39.240
Base-Backbone interact. energy: -0.280
local terms energy: -60.910315
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -299.089686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.089686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.089686 (E_RNA)
where:
Base-Base interactions energy: -187.397
where: short stacking energy: -104.537
Base-Backbone interact. energy: -1.334
local terms energy: -110.358696
where:
bonds (distance) C4'-P energy: -24.211
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -24.839
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: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -285.730928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.730928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.730928 (E_RNA)
where:
Base-Base interactions energy: -179.291
where: short stacking energy: -97.291
Base-Backbone interact. energy: -0.359
local terms energy: -106.081319
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -22.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -249.400233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.400233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.400233 (E_RNA)
where:
Base-Base interactions energy: -150.110
where: short stacking energy: -84.853
Base-Backbone interact. energy: -0.102
local terms energy: -99.188867
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -249.026671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.026671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.026671 (E_RNA)
where:
Base-Base interactions energy: -140.187
where: short stacking energy: -72.281
Base-Backbone interact. energy: -0.371
local terms energy: -108.468697
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -20.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -261.519855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.519855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.519855 (E_RNA)
where:
Base-Base interactions energy: -164.075
where: short stacking energy: -85.232
Base-Backbone interact. energy: 4.541
local terms energy: -101.985969
where:
bonds (distance) C4'-P energy: -23.222
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -12.508
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: 6, replica: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -193.978409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.978409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.978409 (E_RNA)
where:
Base-Base interactions energy: -91.297
where: short stacking energy: -44.753
Base-Backbone interact. energy: -0.133
local terms energy: -102.548780
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -143.173983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.173983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.173983 (E_RNA)
where:
Base-Base interactions energy: -57.697
where: short stacking energy: -52.214
Base-Backbone interact. energy: -1.020
local terms energy: -84.457445
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -12.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -132.392693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.392693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.392693 (E_RNA)
where:
Base-Base interactions energy: -47.118
where: short stacking energy: -47.079
Base-Backbone interact. energy: -1.140
local terms energy: -84.134590
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -13.805
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: 9, replica: 1
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -113.668908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.668908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.668908 (E_RNA)
where:
Base-Base interactions energy: -40.604
where: short stacking energy: -32.931
Base-Backbone interact. energy: -0.180
local terms energy: -72.885200
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -24.547
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -103.478641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.478641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.478641 (E_RNA)
where:
Base-Base interactions energy: -37.936
where: short stacking energy: -24.156
Base-Backbone interact. energy: -0.123
local terms energy: -65.419626
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: 1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -305.034746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.034746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.034746 (E_RNA)
where:
Base-Base interactions energy: -190.355
where: short stacking energy: -105.580
Base-Backbone interact. energy: -0.134
local terms energy: -114.546364
where:
bonds (distance) C4'-P energy: -24.083
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -24.416
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -25.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -296.235431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.235431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.235431 (E_RNA)
where:
Base-Base interactions energy: -189.441
where: short stacking energy: -97.167
Base-Backbone interact. energy: -0.153
local terms energy: -106.640684
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -23.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -275.736104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.736104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.736104 (E_RNA)
where:
Base-Base interactions energy: -183.393
where: short stacking energy: -99.536
Base-Backbone interact. energy: 0.360
local terms energy: -92.703226
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -29.736
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: 42
Temperature: 1.050000
Total energy: -257.762947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.762947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.762947 (E_RNA)
where:
Base-Base interactions energy: -157.808
where: short stacking energy: -80.009
Base-Backbone interact. energy: -0.285
local terms energy: -99.669783
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -21.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -239.795003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.795003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.795003 (E_RNA)
where:
Base-Base interactions energy: -147.136
where: short stacking energy: -72.009
Base-Backbone interact. energy: -0.132
local terms energy: -92.526301
where:
bonds (distance) C4'-P energy: -22.892
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -16.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -197.618536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.618536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.618536 (E_RNA)
where:
Base-Base interactions energy: -108.032
where: short stacking energy: -59.032
Base-Backbone interact. energy: 0.432
local terms energy: -90.018900
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -134.405695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.405695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.405695 (E_RNA)
where:
Base-Base interactions energy: -52.949
where: short stacking energy: -48.387
Base-Backbone interact. energy: -0.021
local terms energy: -81.435781
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -24.347
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -11.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -105.201637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.201637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.201637 (E_RNA)
where:
Base-Base interactions energy: -29.291
where: short stacking energy: -25.999
Base-Backbone interact. energy: -0.826
local terms energy: -75.084478
where:
bonds (distance) C4'-P energy: -23.141
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -22.057
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: 1.045
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: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -114.558163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.558163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.558163 (E_RNA)
where:
Base-Base interactions energy: -37.237
where: short stacking energy: -33.963
Base-Backbone interact. energy: -0.121
local terms energy: -77.200410
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -17.491
tors. eta vs tors. theta energy: -0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -96.472987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.472987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.472987 (E_RNA)
where:
Base-Base interactions energy: -25.772
where: short stacking energy: -21.419
Base-Backbone interact. energy: -0.524
local terms energy: -70.176560
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: 1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -309.064586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.064586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.064586 (E_RNA)
where:
Base-Base interactions energy: -200.383
where: short stacking energy: -101.252
Base-Backbone interact. energy: 1.466
local terms energy: -110.147246
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -21.839
flat angles C4'-P-C4' energy: -22.917
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: -26.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -280.508963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.508963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.508963 (E_RNA)
where:
Base-Base interactions energy: -180.398
where: short stacking energy: -87.515
Base-Backbone interact. energy: -0.451
local terms energy: -99.660279
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -25.985
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: 3, replica: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -260.155135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.155135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.155135 (E_RNA)
where:
Base-Base interactions energy: -156.024
where: short stacking energy: -79.101
Base-Backbone interact. energy: -0.277
local terms energy: -103.853828
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -24.564
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -268.854596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.854596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.854596 (E_RNA)
where:
Base-Base interactions energy: -167.166
where: short stacking energy: -94.539
Base-Backbone interact. energy: -0.073
local terms energy: -101.615395
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -11.050
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: 5, replica: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -266.269873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.269873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.269873 (E_RNA)
where:
Base-Base interactions energy: -158.328
where: short stacking energy: -84.657
Base-Backbone interact. energy: -0.048
local terms energy: -107.894510
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -18.291
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: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -153.182429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.182429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.182429 (E_RNA)
where:
Base-Base interactions energy: -68.023
where: short stacking energy: -68.023
Base-Backbone interact. energy: 0.179
local terms energy: -85.339009
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -17.582
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: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -185.982196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.982196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.982196 (E_RNA)
where:
Base-Base interactions energy: -103.756
where: short stacking energy: -55.917
Base-Backbone interact. energy: -0.308
local terms energy: -81.917991
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -9.379
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: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -116.408416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.408416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.408416 (E_RNA)
where:
Base-Base interactions energy: -42.066
where: short stacking energy: -42.066
Base-Backbone interact. energy: -0.203
local terms energy: -74.140048
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -107.575298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.575298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.575298 (E_RNA)
where:
Base-Base interactions energy: -36.312
where: short stacking energy: -36.312
Base-Backbone interact. energy: -0.206
local terms energy: -71.056783
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -103.485022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.485022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.485022 (E_RNA)
where:
Base-Base interactions energy: -35.241
where: short stacking energy: -32.528
Base-Backbone interact. energy: -0.282
local terms energy: -67.962528
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -296.354700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.354700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.354700 (E_RNA)
where:
Base-Base interactions energy: -175.340
where: short stacking energy: -89.465
Base-Backbone interact. energy: -0.492
local terms energy: -120.522908
where:
bonds (distance) C4'-P energy: -23.483
bonds (distance) P-C4' energy: -26.632
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -32.401
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: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -294.476967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.476967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.476967 (E_RNA)
where:
Base-Base interactions energy: -193.819
where: short stacking energy: -101.283
Base-Backbone interact. energy: -0.173
local terms energy: -100.484867
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -24.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -257.826912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.826912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.826912 (E_RNA)
where:
Base-Base interactions energy: -157.466
where: short stacking energy: -85.331
Base-Backbone interact. energy: 0.483
local terms energy: -100.843880
where:
bonds (distance) C4'-P energy: -19.123
bonds (distance) P-C4' energy: -23.339
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -213.471167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.471167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.471167 (E_RNA)
where:
Base-Base interactions energy: -119.052
where: short stacking energy: -68.096
Base-Backbone interact. energy: -0.232
local terms energy: -94.186406
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -25.238
flat angles C4'-P-C4' energy: -21.253
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -16.422
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: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -267.967736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.967736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.967736 (E_RNA)
where:
Base-Base interactions energy: -173.796
where: short stacking energy: -88.511
Base-Backbone interact. energy: -0.038
local terms energy: -94.133597
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -20.940
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -25.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -143.410286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.410286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.410286 (E_RNA)
where:
Base-Base interactions energy: -59.881
where: short stacking energy: -45.336
Base-Backbone interact. energy: 0.807
local terms energy: -84.336452
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -7.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -146.479344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.479344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.479344 (E_RNA)
where:
Base-Base interactions energy: -59.148
where: short stacking energy: -45.421
Base-Backbone interact. energy: -0.134
local terms energy: -87.196852
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -14.765
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: 8, replica: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -197.619857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.619857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.619857 (E_RNA)
where:
Base-Base interactions energy: -112.789
where: short stacking energy: -70.851
Base-Backbone interact. energy: 0.446
local terms energy: -85.276948
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -21.543
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -14.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -107.042769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.042769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.042769 (E_RNA)
where:
Base-Base interactions energy: -32.473
where: short stacking energy: -31.529
Base-Backbone interact. energy: -0.211
local terms energy: -74.359010
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -106.070368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.070368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.070368 (E_RNA)
where:
Base-Base interactions energy: -49.021
where: short stacking energy: -43.319
Base-Backbone interact. energy: -0.034
local terms energy: -57.014802
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -19.208
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -306.446543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.446543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.446543 (E_RNA)
where:
Base-Base interactions energy: -196.051
where: short stacking energy: -97.854
Base-Backbone interact. energy: 1.846
local terms energy: -112.242295
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -26.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -273.117829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.117829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.117829 (E_RNA)
where:
Base-Base interactions energy: -166.563
where: short stacking energy: -82.709
Base-Backbone interact. energy: -0.089
local terms energy: -106.466039
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -24.677
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -23.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -269.800378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.800378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.800378 (E_RNA)
where:
Base-Base interactions energy: -162.117
where: short stacking energy: -90.185
Base-Backbone interact. energy: 0.168
local terms energy: -107.850605
where:
bonds (distance) C4'-P energy: -25.266
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -24.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -286.505409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.505409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.505409 (E_RNA)
where:
Base-Base interactions energy: -177.020
where: short stacking energy: -99.847
Base-Backbone interact. energy: -0.136
local terms energy: -109.349797
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -28.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -225.971536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.971536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.971536 (E_RNA)
where:
Base-Base interactions energy: -130.163
where: short stacking energy: -70.594
Base-Backbone interact. energy: -0.393
local terms energy: -95.415461
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -15.953
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: 6, replica: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -138.543747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.543747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.543747 (E_RNA)
where:
Base-Base interactions energy: -55.194
where: short stacking energy: -53.132
Base-Backbone interact. energy: -0.685
local terms energy: -82.664785
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -25.686
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -9.169
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: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -117.167333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.167333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.167333 (E_RNA)
where:
Base-Base interactions energy: -39.497
where: short stacking energy: -39.497
Base-Backbone interact. energy: -0.178
local terms energy: -77.492512
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -185.876316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.876316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.876316 (E_RNA)
where:
Base-Base interactions energy: -98.127
where: short stacking energy: -51.272
Base-Backbone interact. energy: -0.233
local terms energy: -87.516535
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -19.627
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -125.532963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.532963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.532963 (E_RNA)
where:
Base-Base interactions energy: -44.828
where: short stacking energy: -37.878
Base-Backbone interact. energy: 0.094
local terms energy: -80.798313
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -13.881
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: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -102.253740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.253740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.253740 (E_RNA)
where:
Base-Base interactions energy: -43.973
where: short stacking energy: -28.820
Base-Backbone interact. energy: -0.331
local terms energy: -57.949678
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: 1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -290.558359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.558359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.558359 (E_RNA)
where:
Base-Base interactions energy: -177.117
where: short stacking energy: -88.131
Base-Backbone interact. energy: -1.239
local terms energy: -112.202828
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -23.550
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -22.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -319.174744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.174744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.174744 (E_RNA)
where:
Base-Base interactions energy: -200.569
where: short stacking energy: -106.813
Base-Backbone interact. energy: -0.786
local terms energy: -117.819530
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -27.439
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -30.918
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: 3, replica: 8
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -285.427508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.427508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.427508 (E_RNA)
where:
Base-Base interactions energy: -169.548
where: short stacking energy: -102.237
Base-Backbone interact. energy: -0.001
local terms energy: -115.879099
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -23.385
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -31.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -266.349486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.349486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.349486 (E_RNA)
where:
Base-Base interactions energy: -159.680
where: short stacking energy: -88.031
Base-Backbone interact. energy: 0.395
local terms energy: -107.064992
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -26.351
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: 46
Temperature: 1.100000
Total energy: -238.823183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.823183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.823183 (E_RNA)
where:
Base-Base interactions energy: -137.062
where: short stacking energy: -78.798
Base-Backbone interact. energy: -1.684
local terms energy: -100.077037
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -22.750
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -128.809385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.809385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.809385 (E_RNA)
where:
Base-Base interactions energy: -48.480
where: short stacking energy: -48.480
Base-Backbone interact. energy: -0.154
local terms energy: -80.175974
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -205.165898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.165898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.165898 (E_RNA)
where:
Base-Base interactions energy: -118.564
where: short stacking energy: -61.321
Base-Backbone interact. energy: -1.022
local terms energy: -85.580319
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -136.534780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.534780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.534780 (E_RNA)
where:
Base-Base interactions energy: -58.051
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.702
local terms energy: -77.782024
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -10.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -105.865532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.865532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.865532 (E_RNA)
where:
Base-Base interactions energy: -34.260
where: short stacking energy: -27.596
Base-Backbone interact. energy: -0.574
local terms energy: -71.031588
where:
bonds (distance) C4'-P energy: -21.955
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -21.300
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -107.074285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.074285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.074285 (E_RNA)
where:
Base-Base interactions energy: -36.480
where: short stacking energy: -24.753
Base-Backbone interact. energy: -0.120
local terms energy: -70.473988
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -292.972460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.972460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.972460 (E_RNA)
where:
Base-Base interactions energy: -187.483
where: short stacking energy: -102.935
Base-Backbone interact. energy: 0.772
local terms energy: -106.261064
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -22.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -298.831744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.831744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.831744 (E_RNA)
where:
Base-Base interactions energy: -181.221
where: short stacking energy: -101.284
Base-Backbone interact. energy: -0.177
local terms energy: -117.433562
where:
bonds (distance) C4'-P energy: -24.434
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -29.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -300.476178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.476178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.476178 (E_RNA)
where:
Base-Base interactions energy: -189.733
where: short stacking energy: -100.986
Base-Backbone interact. energy: -0.746
local terms energy: -109.996678
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -27.460
flat angles P-C4'-P energy: -12.241
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: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -260.781132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.781132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.781132 (E_RNA)
where:
Base-Base interactions energy: -158.347
where: short stacking energy: -90.251
Base-Backbone interact. energy: -0.077
local terms energy: -102.357083
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -23.116
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -22.128
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: 5, replica: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -239.924757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.924757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.924757 (E_RNA)
where:
Base-Base interactions energy: -149.768
where: short stacking energy: -73.839
Base-Backbone interact. energy: -0.068
local terms energy: -90.089045
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -219.234396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.234396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.234396 (E_RNA)
where:
Base-Base interactions energy: -123.586
where: short stacking energy: -63.339
Base-Backbone interact. energy: 0.573
local terms energy: -96.221425
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -17.288
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: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -135.613110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.613110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.613110 (E_RNA)
where:
Base-Base interactions energy: -50.859
where: short stacking energy: -48.736
Base-Backbone interact. energy: -0.255
local terms energy: -84.499082
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -113.933553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.933553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.933553 (E_RNA)
where:
Base-Base interactions energy: -38.763
where: short stacking energy: -33.537
Base-Backbone interact. energy: 0.161
local terms energy: -75.332018
where:
bonds (distance) C4'-P energy: -23.067
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -13.092
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: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -119.316600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.316600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.316600 (E_RNA)
where:
Base-Base interactions energy: -37.795
where: short stacking energy: -35.415
Base-Backbone interact. energy: -0.115
local terms energy: -81.406704
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -117.744405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.744405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.744405 (E_RNA)
where:
Base-Base interactions energy: -43.578
where: short stacking energy: -42.528
Base-Backbone interact. energy: -0.623
local terms energy: -73.543682
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -8.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -307.109520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.109520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.109520 (E_RNA)
where:
Base-Base interactions energy: -193.628
where: short stacking energy: -113.182
Base-Backbone interact. energy: -0.010
local terms energy: -113.470731
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -23.414
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -29.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -283.651803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.651803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.651803 (E_RNA)
where:
Base-Base interactions energy: -175.972
where: short stacking energy: -80.002
Base-Backbone interact. energy: -0.273
local terms energy: -107.406897
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -21.479
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -25.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -277.509290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.509290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.509290 (E_RNA)
where:
Base-Base interactions energy: -161.567
where: short stacking energy: -92.982
Base-Backbone interact. energy: -0.205
local terms energy: -115.737094
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -29.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -286.662725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.662725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.662725 (E_RNA)
where:
Base-Base interactions energy: -182.597
where: short stacking energy: -96.962
Base-Backbone interact. energy: -0.418
local terms energy: -103.648112
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -24.107
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -26.538
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: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -256.382043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.382043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.382043 (E_RNA)
where:
Base-Base interactions energy: -162.788
where: short stacking energy: -78.459
Base-Backbone interact. energy: -0.184
local terms energy: -93.409265
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -20.541
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: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -202.951883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.951883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.951883 (E_RNA)
where:
Base-Base interactions energy: -114.621
where: short stacking energy: -60.772
Base-Backbone interact. energy: 1.098
local terms energy: -89.428448
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -24.176
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -11.285
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: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -123.894185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.894185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.894185 (E_RNA)
where:
Base-Base interactions energy: -56.073
where: short stacking energy: -52.656
Base-Backbone interact. energy: -0.645
local terms energy: -67.176114
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -110.776277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.776277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.776277 (E_RNA)
where:
Base-Base interactions energy: -44.160
where: short stacking energy: -39.377
Base-Backbone interact. energy: 2.455
local terms energy: -69.071222
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -121.876326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.876326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.876326 (E_RNA)
where:
Base-Base interactions energy: -66.849
where: short stacking energy: -42.898
Base-Backbone interact. energy: -0.224
local terms energy: -54.803471
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: 4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -102.336094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.336094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.336094 (E_RNA)
where:
Base-Base interactions energy: -35.913
where: short stacking energy: -26.333
Base-Backbone interact. energy: 2.164
local terms energy: -68.587053
where:
bonds (distance) C4'-P energy: -22.968
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: 0.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -326.825554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.825554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.825554 (E_RNA)
where:
Base-Base interactions energy: -204.879
where: short stacking energy: -115.881
Base-Backbone interact. energy: -0.012
local terms energy: -121.934251
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -26.332
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -38.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -290.399122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.399122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.399122 (E_RNA)
where:
Base-Base interactions energy: -182.945
where: short stacking energy: -102.846
Base-Backbone interact. energy: -0.086
local terms energy: -107.368091
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -30.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -292.069626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.069626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.069626 (E_RNA)
where:
Base-Base interactions energy: -178.200
where: short stacking energy: -91.512
Base-Backbone interact. energy: -0.307
local terms energy: -113.562563
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -23.267
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -25.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -294.923974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.923974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.923974 (E_RNA)
where:
Base-Base interactions energy: -193.543
where: short stacking energy: -100.785
Base-Backbone interact. energy: -0.727
local terms energy: -100.654182
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -21.536
flat angles P-C4'-P energy: -11.409
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: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -265.436416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.436416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.436416 (E_RNA)
where:
Base-Base interactions energy: -165.909
where: short stacking energy: -86.887
Base-Backbone interact. energy: -0.176
local terms energy: -99.351414
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -27.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -212.788316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.788316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.788316 (E_RNA)
where:
Base-Base interactions energy: -128.414
where: short stacking energy: -63.561
Base-Backbone interact. energy: 0.352
local terms energy: -84.725758
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -138.056139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.056139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.056139 (E_RNA)
where:
Base-Base interactions energy: -68.986
where: short stacking energy: -47.796
Base-Backbone interact. energy: -0.419
local terms energy: -68.651380
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -122.872664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.872664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.872664 (E_RNA)
where:
Base-Base interactions energy: -60.355
where: short stacking energy: -52.126
Base-Backbone interact. energy: -0.328
local terms energy: -62.189642
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -113.710034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.710034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.710034 (E_RNA)
where:
Base-Base interactions energy: -38.628
where: short stacking energy: -29.409
Base-Backbone interact. energy: 0.564
local terms energy: -75.646040
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -103.224702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.224702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.224702 (E_RNA)
where:
Base-Base interactions energy: -38.313
where: short stacking energy: -28.906
Base-Backbone interact. energy: -0.353
local terms energy: -64.559127
where:
bonds (distance) C4'-P energy: -24.703
bonds (distance) P-C4' energy: -24.505
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: 4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -323.515988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.515988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.515988 (E_RNA)
where:
Base-Base interactions energy: -198.322
where: short stacking energy: -112.932
Base-Backbone interact. energy: -0.010
local terms energy: -125.184671
where:
bonds (distance) C4'-P energy: -24.872
bonds (distance) P-C4' energy: -25.008
flat angles C4'-P-C4' energy: -22.572
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -34.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -288.528391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.528391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.528391 (E_RNA)
where:
Base-Base interactions energy: -183.300
where: short stacking energy: -94.381
Base-Backbone interact. energy: -0.118
local terms energy: -105.110362
where:
bonds (distance) C4'-P energy: -24.340
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -18.606
tors. eta vs tors. theta energy: -26.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -272.732298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.732298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.732298 (E_RNA)
where:
Base-Base interactions energy: -167.289
where: short stacking energy: -87.940
Base-Backbone interact. energy: -0.418
local terms energy: -105.025475
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -25.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -288.475657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.475657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.475657 (E_RNA)
where:
Base-Base interactions energy: -184.776
where: short stacking energy: -95.462
Base-Backbone interact. energy: -0.151
local terms energy: -103.548042
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -22.748
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -28.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -262.682109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.682109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.682109 (E_RNA)
where:
Base-Base interactions energy: -161.852
where: short stacking energy: -87.599
Base-Backbone interact. energy: -1.459
local terms energy: -99.371227
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -23.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -218.616050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.616050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.616050 (E_RNA)
where:
Base-Base interactions energy: -139.296
where: short stacking energy: -76.643
Base-Backbone interact. energy: -0.134
local terms energy: -79.186229
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -112.628456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.628456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.628456 (E_RNA)
where:
Base-Base interactions energy: -47.154
where: short stacking energy: -44.119
Base-Backbone interact. energy: -0.643
local terms energy: -64.831233
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -11.849
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: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -136.603327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.603327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.603327 (E_RNA)
where:
Base-Base interactions energy: -58.307
where: short stacking energy: -38.099
Base-Backbone interact. energy: -0.280
local terms energy: -78.015848
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -12.086
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: 50
Temperature: 1.300000
Total energy: -107.829161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.829161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.829161 (E_RNA)
where:
Base-Base interactions energy: -42.233
where: short stacking energy: -42.233
Base-Backbone interact. energy: -0.300
local terms energy: -65.296030
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -1.046
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: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -102.541909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.541909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.541909 (E_RNA)
where:
Base-Base interactions energy: -46.779
where: short stacking energy: -34.133
Base-Backbone interact. energy: 0.203
local terms energy: -55.966034
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -4.730
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: 1, replica: 8
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -320.608538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.608538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.608538 (E_RNA)
where:
Base-Base interactions energy: -195.586
where: short stacking energy: -122.399
Base-Backbone interact. energy: -0.238
local terms energy: -124.784993
where:
bonds (distance) C4'-P energy: -23.566
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -22.351
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -37.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -288.804026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.804026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.804026 (E_RNA)
where:
Base-Base interactions energy: -191.740
where: short stacking energy: -98.991
Base-Backbone interact. energy: -0.027
local terms energy: -97.037311
where:
bonds (distance) C4'-P energy: -23.933
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -24.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -283.172105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.172105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.172105 (E_RNA)
where:
Base-Base interactions energy: -175.896
where: short stacking energy: -102.010
Base-Backbone interact. energy: -0.301
local terms energy: -106.974284
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -31.243
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: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -286.581515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.581515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.581515 (E_RNA)
where:
Base-Base interactions energy: -174.124
where: short stacking energy: -88.971
Base-Backbone interact. energy: -0.116
local terms energy: -112.341465
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -28.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -250.529206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.529206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.529206 (E_RNA)
where:
Base-Base interactions energy: -151.204
where: short stacking energy: -77.269
Base-Backbone interact. energy: -0.095
local terms energy: -99.230795
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -14.272
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: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -219.822515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.822515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.822515 (E_RNA)
where:
Base-Base interactions energy: -130.165
where: short stacking energy: -78.454
Base-Backbone interact. energy: -0.454
local terms energy: -89.203063
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -5.778
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: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -126.856284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.856284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.856284 (E_RNA)
where:
Base-Base interactions energy: -53.281
where: short stacking energy: -32.697
Base-Backbone interact. energy: 0.475
local terms energy: -74.050209
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -106.599731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.599731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.599731 (E_RNA)
where:
Base-Base interactions energy: -41.882
where: short stacking energy: -41.982
Base-Backbone interact. energy: -0.123
local terms energy: -64.595329
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -117.025043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.025043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.025043 (E_RNA)
where:
Base-Base interactions energy: -38.260
where: short stacking energy: -38.260
Base-Backbone interact. energy: -0.030
local terms energy: -78.734742
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -114.525486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.525486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.525486 (E_RNA)
where:
Base-Base interactions energy: -45.204
where: short stacking energy: -45.204
Base-Backbone interact. energy: 0.916
local terms energy: -70.238263
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -6.865
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: 1, replica: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -318.303097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.303097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.303097 (E_RNA)
where:
Base-Base interactions energy: -196.798
where: short stacking energy: -105.010
Base-Backbone interact. energy: 0.751
local terms energy: -122.256580
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -27.001
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -37.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -297.432998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.432998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.432998 (E_RNA)
where:
Base-Base interactions energy: -197.311
where: short stacking energy: -104.232
Base-Backbone interact. energy: -0.518
local terms energy: -99.604027
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -23.000
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -25.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -280.044681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.044681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.044681 (E_RNA)
where:
Base-Base interactions energy: -183.079
where: short stacking energy: -95.247
Base-Backbone interact. energy: -0.125
local terms energy: -96.840555
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -25.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -266.945369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.945369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.945369 (E_RNA)
where:
Base-Base interactions energy: -163.467
where: short stacking energy: -84.844
Base-Backbone interact. energy: -0.122
local terms energy: -103.356244
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -21.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -244.755375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.755375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.755375 (E_RNA)
where:
Base-Base interactions energy: -144.754
where: short stacking energy: -89.208
Base-Backbone interact. energy: -0.133
local terms energy: -99.867818
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -27.104
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: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -204.662841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.662841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.662841 (E_RNA)
where:
Base-Base interactions energy: -110.430
where: short stacking energy: -60.421
Base-Backbone interact. energy: -0.113
local terms energy: -94.120570
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -11.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -132.139227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.139227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.139227 (E_RNA)
where:
Base-Base interactions energy: -49.825
where: short stacking energy: -43.135
Base-Backbone interact. energy: -0.841
local terms energy: -81.473081
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -111.320067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.320067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.320067 (E_RNA)
where:
Base-Base interactions energy: -44.774
where: short stacking energy: -42.032
Base-Backbone interact. energy: -0.498
local terms energy: -66.047504
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -3.679
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -112.447380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.447380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.447380 (E_RNA)
where:
Base-Base interactions energy: -43.630
where: short stacking energy: -42.590
Base-Backbone interact. energy: -0.238
local terms energy: -68.580188
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -8.876
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: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -103.924894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.924894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.924894 (E_RNA)
where:
Base-Base interactions energy: -28.197
where: short stacking energy: -28.197
Base-Backbone interact. energy: -0.295
local terms energy: -75.433058
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -311.724304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.724304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.724304 (E_RNA)
where:
Base-Base interactions energy: -190.497
where: short stacking energy: -97.509
Base-Backbone interact. energy: 0.222
local terms energy: -121.449567
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -22.210
tors. eta vs tors. theta energy: -30.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -285.917560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.917560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.917560 (E_RNA)
where:
Base-Base interactions energy: -182.998
where: short stacking energy: -92.169
Base-Backbone interact. energy: 0.201
local terms energy: -103.120822
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -18.067
tors. eta vs tors. theta energy: -24.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -293.717214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.717214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.717214 (E_RNA)
where:
Base-Base interactions energy: -187.802
where: short stacking energy: -97.539
Base-Backbone interact. energy: -0.535
local terms energy: -105.379806
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -25.397
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -28.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -250.203621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.203621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.203621 (E_RNA)
where:
Base-Base interactions energy: -147.057
where: short stacking energy: -86.645
Base-Backbone interact. energy: -0.148
local terms energy: -102.998858
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -26.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -253.598694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.598694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.598694 (E_RNA)
where:
Base-Base interactions energy: -158.981
where: short stacking energy: -81.383
Base-Backbone interact. energy: -0.236
local terms energy: -94.381885
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -21.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -170.219617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.219617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.219617 (E_RNA)
where:
Base-Base interactions energy: -86.437
where: short stacking energy: -57.307
Base-Backbone interact. energy: -0.151
local terms energy: -83.631723
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -16.611
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: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -132.523915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.523915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.523915 (E_RNA)
where:
Base-Base interactions energy: -50.042
where: short stacking energy: -48.332
Base-Backbone interact. energy: -1.216
local terms energy: -81.265570
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -21.917
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -119.853152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.853152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.853152 (E_RNA)
where:
Base-Base interactions energy: -47.059
where: short stacking energy: -42.663
Base-Backbone interact. energy: -0.464
local terms energy: -72.330138
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -129.752649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.752649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.752649 (E_RNA)
where:
Base-Base interactions energy: -56.922
where: short stacking energy: -35.908
Base-Backbone interact. energy: -1.536
local terms energy: -71.294379
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -25.864
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -107.929245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.929245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.929245 (E_RNA)
where:
Base-Base interactions energy: -31.255
where: short stacking energy: -27.936
Base-Backbone interact. energy: -1.437
local terms energy: -75.237319
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -25.467
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -1.418
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: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -292.086842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.086842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.086842 (E_RNA)
where:
Base-Base interactions energy: -180.632
where: short stacking energy: -99.363
Base-Backbone interact. energy: -0.046
local terms energy: -111.408920
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -29.844
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: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -283.752749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.752749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.752749 (E_RNA)
where:
Base-Base interactions energy: -179.065
where: short stacking energy: -93.698
Base-Backbone interact. energy: -0.556
local terms energy: -104.131188
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -23.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -291.994926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.994926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.994926 (E_RNA)
where:
Base-Base interactions energy: -179.626
where: short stacking energy: -85.369
Base-Backbone interact. energy: -1.018
local terms energy: -111.351791
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -25.149
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -27.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -238.536420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.536420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.536420 (E_RNA)
where:
Base-Base interactions energy: -132.984
where: short stacking energy: -79.529
Base-Backbone interact. energy: -0.130
local terms energy: -105.421733
where:
bonds (distance) C4'-P energy: -22.766
bonds (distance) P-C4' energy: -22.459
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -21.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -256.637944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.637944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.637944 (E_RNA)
where:
Base-Base interactions energy: -155.574
where: short stacking energy: -84.938
Base-Backbone interact. energy: -0.230
local terms energy: -100.833728
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -24.988
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: -23.588
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: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -224.822267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.822267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.822267 (E_RNA)
where:
Base-Base interactions energy: -129.558
where: short stacking energy: -70.263
Base-Backbone interact. energy: -0.155
local terms energy: -95.109219
where:
bonds (distance) C4'-P energy: -24.252
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -21.678
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -16.825
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: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -121.459499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.459499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.459499 (E_RNA)
where:
Base-Base interactions energy: -48.183
where: short stacking energy: -43.158
Base-Backbone interact. energy: -0.203
local terms energy: -73.073426
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -123.011188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.011188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.011188 (E_RNA)
where:
Base-Base interactions energy: -40.078
where: short stacking energy: -40.078
Base-Backbone interact. energy: -0.819
local terms energy: -82.115041
where:
bonds (distance) C4'-P energy: -23.934
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -111.849964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.849964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.849964 (E_RNA)
where:
Base-Base interactions energy: -37.140
where: short stacking energy: -37.140
Base-Backbone interact. energy: -0.161
local terms energy: -74.548850
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -10.245
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: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -108.410476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.410476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.410476 (E_RNA)
where:
Base-Base interactions energy: -40.746
where: short stacking energy: -39.054
Base-Backbone interact. energy: 0.671
local terms energy: -68.335220
where:
bonds (distance) C4'-P energy: -24.852
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -291.581164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.581164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.581164 (E_RNA)
where:
Base-Base interactions energy: -179.437
where: short stacking energy: -95.833
Base-Backbone interact. energy: -0.093
local terms energy: -112.051432
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -29.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -302.869320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.869320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.869320 (E_RNA)
where:
Base-Base interactions energy: -206.388
where: short stacking energy: -109.656
Base-Backbone interact. energy: -0.505
local terms energy: -95.975562
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -25.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -264.276624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.276624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.276624 (E_RNA)
where:
Base-Base interactions energy: -169.104
where: short stacking energy: -87.619
Base-Backbone interact. energy: -0.544
local terms energy: -94.629149
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -257.554865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.554865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.554865 (E_RNA)
where:
Base-Base interactions energy: -140.991
where: short stacking energy: -79.137
Base-Backbone interact. energy: 0.973
local terms energy: -117.537454
where:
bonds (distance) C4'-P energy: -24.638
bonds (distance) P-C4' energy: -25.190
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -25.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -257.545530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.545530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.545530 (E_RNA)
where:
Base-Base interactions energy: -155.709
where: short stacking energy: -79.218
Base-Backbone interact. energy: -0.066
local terms energy: -101.770224
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -20.082
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -22.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -215.253167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.253167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.253167 (E_RNA)
where:
Base-Base interactions energy: -123.408
where: short stacking energy: -81.702
Base-Backbone interact. energy: -0.139
local terms energy: -91.706669
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -131.878742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.878742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.878742 (E_RNA)
where:
Base-Base interactions energy: -54.977
where: short stacking energy: -50.921
Base-Backbone interact. energy: -0.020
local terms energy: -76.881276
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -7.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -116.946072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.946072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.946072 (E_RNA)
where:
Base-Base interactions energy: -44.911
where: short stacking energy: -38.631
Base-Backbone interact. energy: -0.174
local terms energy: -71.861034
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -16.691
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: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -117.836849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.836849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.836849 (E_RNA)
where:
Base-Base interactions energy: -36.265
where: short stacking energy: -34.164
Base-Backbone interact. energy: -0.121
local terms energy: -81.450491
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -2.697
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: 10, replica: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -102.923546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.923546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.923546 (E_RNA)
where:
Base-Base interactions energy: -37.356
where: short stacking energy: -23.233
Base-Backbone interact. energy: -1.003
local terms energy: -64.564689
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -9.902
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: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -305.129180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.129180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.129180 (E_RNA)
where:
Base-Base interactions energy: -197.820
where: short stacking energy: -89.372
Base-Backbone interact. energy: -0.719
local terms energy: -106.590504
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -22.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -298.359489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.359489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.359489 (E_RNA)
where:
Base-Base interactions energy: -185.183
where: short stacking energy: -108.507
Base-Backbone interact. energy: -0.010
local terms energy: -113.166532
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -18.253
tors. eta vs tors. theta energy: -32.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -261.944157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.944157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.944157 (E_RNA)
where:
Base-Base interactions energy: -156.980
where: short stacking energy: -85.673
Base-Backbone interact. energy: -0.210
local terms energy: -104.754189
where:
bonds (distance) C4'-P energy: -21.100
bonds (distance) P-C4' energy: -24.718
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -22.254
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: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -238.144180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.144180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.144180 (E_RNA)
where:
Base-Base interactions energy: -145.647
where: short stacking energy: -81.323
Base-Backbone interact. energy: -0.147
local terms energy: -92.350790
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -26.331
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -245.939358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.939358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.939358 (E_RNA)
where:
Base-Base interactions energy: -150.961
where: short stacking energy: -78.408
Base-Backbone interact. energy: -0.454
local terms energy: -94.524721
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -24.405
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -20.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -230.283011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.283011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.283011 (E_RNA)
where:
Base-Base interactions energy: -135.150
where: short stacking energy: -74.363
Base-Backbone interact. energy: -0.164
local terms energy: -94.968909
where:
bonds (distance) C4'-P energy: -17.939
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -135.112168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.112168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.112168 (E_RNA)
where:
Base-Base interactions energy: -60.467
where: short stacking energy: -52.065
Base-Backbone interact. energy: -0.095
local terms energy: -74.549636
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -129.206414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.206414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.206414 (E_RNA)
where:
Base-Base interactions energy: -50.894
where: short stacking energy: -29.761
Base-Backbone interact. energy: -1.155
local terms energy: -77.157794
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -23.340
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: 0.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -119.568786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.568786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.568786 (E_RNA)
where:
Base-Base interactions energy: -48.111
where: short stacking energy: -36.968
Base-Backbone interact. energy: 1.020
local terms energy: -72.478161
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -24.224
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: 0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -91.683028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.683028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.683028 (E_RNA)
where:
Base-Base interactions energy: -22.181
where: short stacking energy: -22.181
Base-Backbone interact. energy: -0.281
local terms energy: -69.221574
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -12.387
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: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -294.821724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.821724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.821724 (E_RNA)
where:
Base-Base interactions energy: -185.720
where: short stacking energy: -95.077
Base-Backbone interact. energy: -0.946
local terms energy: -108.155273
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -25.121
flat angles C4'-P-C4' energy: -25.273
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -25.171
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: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -280.850244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.850244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.850244 (E_RNA)
where:
Base-Base interactions energy: -179.411
where: short stacking energy: -86.257
Base-Backbone interact. energy: 0.411
local terms energy: -101.850408
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -18.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -272.124345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.124345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.124345 (E_RNA)
where:
Base-Base interactions energy: -171.229
where: short stacking energy: -80.909
Base-Backbone interact. energy: -0.266
local terms energy: -100.628728
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -22.553
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -250.641377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.641377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.641377 (E_RNA)
where:
Base-Base interactions energy: -157.675
where: short stacking energy: -84.132
Base-Backbone interact. energy: 0.520
local terms energy: -93.486064
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -23.740
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -227.188309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.188309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.188309 (E_RNA)
where:
Base-Base interactions energy: -130.737
where: short stacking energy: -73.926
Base-Backbone interact. energy: -0.052
local terms energy: -96.400032
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -219.581062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.581062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.581062 (E_RNA)
where:
Base-Base interactions energy: -125.983
where: short stacking energy: -68.040
Base-Backbone interact. energy: -0.638
local terms energy: -92.959745
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -24.800
flat angles C4'-P-C4' energy: -21.108
flat angles P-C4'-P energy: -13.167
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: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -135.329413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.329413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.329413 (E_RNA)
where:
Base-Base interactions energy: -55.068
where: short stacking energy: -41.216
Base-Backbone interact. energy: -0.042
local terms energy: -80.219967
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -23.527
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -10.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -108.141864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.141864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.141864 (E_RNA)
where:
Base-Base interactions energy: -40.851
where: short stacking energy: -34.062
Base-Backbone interact. energy: -0.455
local terms energy: -66.835844
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -1.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -119.487377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.487377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.487377 (E_RNA)
where:
Base-Base interactions energy: -48.049
where: short stacking energy: -38.448
Base-Backbone interact. energy: -0.166
local terms energy: -71.272228
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -111.193975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.193975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.193975 (E_RNA)
where:
Base-Base interactions energy: -43.841
where: short stacking energy: -43.142
Base-Backbone interact. energy: -0.050
local terms energy: -67.302328
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -22.908
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -301.452713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.452713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.452713 (E_RNA)
where:
Base-Base interactions energy: -194.498
where: short stacking energy: -105.027
Base-Backbone interact. energy: -0.531
local terms energy: -106.423740
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -32.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -281.701948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.701948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.701948 (E_RNA)
where:
Base-Base interactions energy: -175.501
where: short stacking energy: -80.322
Base-Backbone interact. energy: -0.382
local terms energy: -105.818752
where:
bonds (distance) C4'-P energy: -25.420
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -23.078
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -267.502411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.502411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.502411 (E_RNA)
where:
Base-Base interactions energy: -162.183
where: short stacking energy: -85.015
Base-Backbone interact. energy: -0.169
local terms energy: -105.149795
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -27.309
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -25.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -247.647242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.647242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.647242 (E_RNA)
where:
Base-Base interactions energy: -148.952
where: short stacking energy: -79.044
Base-Backbone interact. energy: -0.153
local terms energy: -98.542239
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -18.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -217.636902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.636902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.636902 (E_RNA)
where:
Base-Base interactions energy: -126.057
where: short stacking energy: -70.449
Base-Backbone interact. energy: -0.673
local terms energy: -90.907158
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -216.917080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.917080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.917080 (E_RNA)
where:
Base-Base interactions energy: -127.160
where: short stacking energy: -70.816
Base-Backbone interact. energy: -0.659
local terms energy: -89.098153
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -166.251171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.251171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.251171 (E_RNA)
where:
Base-Base interactions energy: -88.339
where: short stacking energy: -54.377
Base-Backbone interact. energy: 0.148
local terms energy: -78.060345
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -20.726
flat angles C4'-P-C4' energy: -23.790
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -126.716255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.716255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.716255 (E_RNA)
where:
Base-Base interactions energy: -51.215
where: short stacking energy: -44.440
Base-Backbone interact. energy: -0.350
local terms energy: -75.151460
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -9.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -117.772214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.772214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.772214 (E_RNA)
where:
Base-Base interactions energy: -46.524
where: short stacking energy: -42.586
Base-Backbone interact. energy: -0.162
local terms energy: -71.085940
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -12.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -96.746819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.746819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.746819 (E_RNA)
where:
Base-Base interactions energy: -31.022
where: short stacking energy: -31.821
Base-Backbone interact. energy: 1.047
local terms energy: -66.772248
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -3.024
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -308.698416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.698416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.698416 (E_RNA)
where:
Base-Base interactions energy: -192.934
where: short stacking energy: -109.088
Base-Backbone interact. energy: -0.558
local terms energy: -115.205931
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -31.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -290.310529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.310529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.310529 (E_RNA)
where:
Base-Base interactions energy: -175.561
where: short stacking energy: -96.919
Base-Backbone interact. energy: -0.082
local terms energy: -114.667120
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -23.839
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -25.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -272.134139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.134139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.134139 (E_RNA)
where:
Base-Base interactions energy: -165.915
where: short stacking energy: -93.505
Base-Backbone interact. energy: -0.298
local terms energy: -105.920886
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -27.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -257.822665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.822665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.822665 (E_RNA)
where:
Base-Base interactions energy: -154.468
where: short stacking energy: -88.401
Base-Backbone interact. energy: 1.533
local terms energy: -104.887452
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -27.036
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: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -225.016819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.016819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.016819 (E_RNA)
where:
Base-Base interactions energy: -125.515
where: short stacking energy: -66.626
Base-Backbone interact. energy: -0.023
local terms energy: -99.479217
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -23.901
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: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -216.265209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.265209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.265209 (E_RNA)
where:
Base-Base interactions energy: -134.681
where: short stacking energy: -78.110
Base-Backbone interact. energy: -0.421
local terms energy: -81.162964
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -13.316
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: 7, replica: 4
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -169.426399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.426399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.426399 (E_RNA)
where:
Base-Base interactions energy: -81.133
where: short stacking energy: -53.182
Base-Backbone interact. energy: -0.106
local terms energy: -88.187830
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -23.903
flat angles C4'-P-C4' energy: -21.903
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -7.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -114.182585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.182585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.182585 (E_RNA)
where:
Base-Base interactions energy: -39.691
where: short stacking energy: -39.691
Base-Backbone interact. energy: -0.203
local terms energy: -74.289157
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -123.766044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.766044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.766044 (E_RNA)
where:
Base-Base interactions energy: -55.847
where: short stacking energy: -46.935
Base-Backbone interact. energy: -0.279
local terms energy: -67.640273
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -10.106
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: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -101.356048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.356048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.356048 (E_RNA)
where:
Base-Base interactions energy: -41.493
where: short stacking energy: -35.261
Base-Backbone interact. energy: -0.645
local terms energy: -59.218255
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -4.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -316.127413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.127413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.127413 (E_RNA)
where:
Base-Base interactions energy: -199.566
where: short stacking energy: -106.420
Base-Backbone interact. energy: -0.399
local terms energy: -116.162443
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -24.260
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -30.451
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: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -247.846510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.846510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.846510 (E_RNA)
where:
Base-Base interactions energy: -148.458
where: short stacking energy: -94.247
Base-Backbone interact. energy: -0.313
local terms energy: -99.075722
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -279.863626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.863626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.863626 (E_RNA)
where:
Base-Base interactions energy: -170.130
where: short stacking energy: -92.705
Base-Backbone interact. energy: -0.160
local terms energy: -109.573857
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: -25.900
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: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -262.111419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.111419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.111419 (E_RNA)
where:
Base-Base interactions energy: -157.228
where: short stacking energy: -83.937
Base-Backbone interact. energy: -0.003
local terms energy: -104.879633
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -25.874
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: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -240.631044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.631044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.631044 (E_RNA)
where:
Base-Base interactions energy: -154.420
where: short stacking energy: -72.679
Base-Backbone interact. energy: -0.255
local terms energy: -85.956158
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -12.376
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: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -204.999601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.999601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.999601 (E_RNA)
where:
Base-Base interactions energy: -120.530
where: short stacking energy: -67.729
Base-Backbone interact. energy: 0.384
local terms energy: -84.853184
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -14.571
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: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -198.480296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.480296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.480296 (E_RNA)
where:
Base-Base interactions energy: -113.597
where: short stacking energy: -68.097
Base-Backbone interact. energy: -0.205
local terms energy: -84.677790
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -22.459
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -128.133163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.133163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.133163 (E_RNA)
where:
Base-Base interactions energy: -56.625
where: short stacking energy: -49.993
Base-Backbone interact. energy: -0.199
local terms energy: -71.309427
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -20.384
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -107.414927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.414927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.414927 (E_RNA)
where:
Base-Base interactions energy: -32.131
where: short stacking energy: -32.131
Base-Backbone interact. energy: 1.550
local terms energy: -76.834081
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -107.558062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.558062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.558062 (E_RNA)
where:
Base-Base interactions energy: -35.045
where: short stacking energy: -34.968
Base-Backbone interact. energy: -0.930
local terms energy: -71.582985
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -316.781139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.781139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.781139 (E_RNA)
where:
Base-Base interactions energy: -200.867
where: short stacking energy: -101.260
Base-Backbone interact. energy: -0.272
local terms energy: -115.642817
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -27.274
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -30.745
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: 2, replica: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -293.132546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.132546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.132546 (E_RNA)
where:
Base-Base interactions energy: -187.135
where: short stacking energy: -104.138
Base-Backbone interact. energy: -0.510
local terms energy: -105.487747
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -14.378
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: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -230.581909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.581909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.581909 (E_RNA)
where:
Base-Base interactions energy: -130.662
where: short stacking energy: -81.910
Base-Backbone interact. energy: -0.048
local terms energy: -99.871637
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -21.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -273.165173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.165173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.165173 (E_RNA)
where:
Base-Base interactions energy: -164.257
where: short stacking energy: -92.000
Base-Backbone interact. energy: -0.109
local terms energy: -108.799245
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -26.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -242.301627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.301627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.301627 (E_RNA)
where:
Base-Base interactions energy: -144.352
where: short stacking energy: -89.548
Base-Backbone interact. energy: -0.088
local terms energy: -97.861026
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -15.861
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: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -204.470365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.470365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.470365 (E_RNA)
where:
Base-Base interactions energy: -114.412
where: short stacking energy: -62.520
Base-Backbone interact. energy: -0.138
local terms energy: -89.919862
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -11.950
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: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -224.823959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.823959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.823959 (E_RNA)
where:
Base-Base interactions energy: -138.168
where: short stacking energy: -76.794
Base-Backbone interact. energy: -0.016
local terms energy: -86.640480
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -20.268
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: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -136.452841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.452841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.452841 (E_RNA)
where:
Base-Base interactions energy: -57.900
where: short stacking energy: -57.900
Base-Backbone interact. energy: -0.090
local terms energy: -78.462402
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -23.026
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -107.776458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.776458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.776458 (E_RNA)
where:
Base-Base interactions energy: -40.775
where: short stacking energy: -38.676
Base-Backbone interact. energy: -0.126
local terms energy: -66.875390
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -115.004189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.004189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.004189 (E_RNA)
where:
Base-Base interactions energy: -50.845
where: short stacking energy: -32.938
Base-Backbone interact. energy: -0.559
local terms energy: -63.600137
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -313.531678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.531678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.531678 (E_RNA)
where:
Base-Base interactions energy: -198.894
where: short stacking energy: -108.493
Base-Backbone interact. energy: 0.891
local terms energy: -115.528652
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -31.463
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: 8
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -297.296642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.296642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.296642 (E_RNA)
where:
Base-Base interactions energy: -179.280
where: short stacking energy: -99.645
Base-Backbone interact. energy: 0.359
local terms energy: -118.375722
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -25.593
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: -32.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -274.733450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.733450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.733450 (E_RNA)
where:
Base-Base interactions energy: -166.590
where: short stacking energy: -101.543
Base-Backbone interact. energy: -0.047
local terms energy: -108.096576
where:
bonds (distance) C4'-P energy: -21.525
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -15.754
tors. eta vs tors. theta energy: -29.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -232.216301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.216301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.216301 (E_RNA)
where:
Base-Base interactions energy: -134.607
where: short stacking energy: -76.662
Base-Backbone interact. energy: 0.645
local terms energy: -98.254008
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -24.288
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -234.023247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.023247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.023247 (E_RNA)
where:
Base-Base interactions energy: -132.148
where: short stacking energy: -82.990
Base-Backbone interact. energy: 0.073
local terms energy: -101.948794
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -16.825
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: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -226.382253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.382253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.382253 (E_RNA)
where:
Base-Base interactions energy: -132.157
where: short stacking energy: -69.755
Base-Backbone interact. energy: -0.141
local terms energy: -94.084965
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -217.671096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.671096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.671096 (E_RNA)
where:
Base-Base interactions energy: -125.382
where: short stacking energy: -70.910
Base-Backbone interact. energy: -0.769
local terms energy: -91.520235
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -121.033373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.033373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.033373 (E_RNA)
where:
Base-Base interactions energy: -47.440
where: short stacking energy: -47.440
Base-Backbone interact. energy: -0.153
local terms energy: -73.440303
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -20.457
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -110.908249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.908249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.908249 (E_RNA)
where:
Base-Base interactions energy: -42.204
where: short stacking energy: -42.204
Base-Backbone interact. energy: -0.202
local terms energy: -68.503172
where:
bonds (distance) C4'-P energy: -25.209
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -3.582
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: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -100.548236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.548236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.548236 (E_RNA)
where:
Base-Base interactions energy: -35.808
where: short stacking energy: -35.908
Base-Backbone interact. energy: -1.507
local terms energy: -63.233609
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: 1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -316.082328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.082328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.082328 (E_RNA)
where:
Base-Base interactions energy: -202.868
where: short stacking energy: -109.094
Base-Backbone interact. energy: -0.323
local terms energy: -112.891267
where:
bonds (distance) C4'-P energy: -21.110
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -23.894
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -29.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -300.393771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.393771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.393771 (E_RNA)
where:
Base-Base interactions energy: -187.851
where: short stacking energy: -110.559
Base-Backbone interact. energy: -0.078
local terms energy: -112.464311
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -23.712
flat angles P-C4'-P energy: -18.153
tors. eta vs tors. theta energy: -32.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -282.826122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.826122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.826122 (E_RNA)
where:
Base-Base interactions energy: -169.499
where: short stacking energy: -104.984
Base-Backbone interact. energy: -0.072
local terms energy: -113.255438
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -25.370
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -29.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -234.024336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.024336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.024336 (E_RNA)
where:
Base-Base interactions energy: -135.341
where: short stacking energy: -77.805
Base-Backbone interact. energy: -0.136
local terms energy: -98.547422
where:
bonds (distance) C4'-P energy: -21.065
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -214.677470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.677470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.677470 (E_RNA)
where:
Base-Base interactions energy: -129.609
where: short stacking energy: -80.036
Base-Backbone interact. energy: -0.298
local terms energy: -84.770375
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -235.876757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.876757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.876757 (E_RNA)
where:
Base-Base interactions energy: -144.455
where: short stacking energy: -93.018
Base-Backbone interact. energy: 0.710
local terms energy: -92.132171
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -29.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -209.847898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.847898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.847898 (E_RNA)
where:
Base-Base interactions energy: -119.773
where: short stacking energy: -46.011
Base-Backbone interact. energy: -0.368
local terms energy: -89.706199
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -9.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -121.582210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.582210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.582210 (E_RNA)
where:
Base-Base interactions energy: -48.715
where: short stacking energy: -46.034
Base-Backbone interact. energy: -0.195
local terms energy: -72.671931
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -5.799
tors. eta vs tors. theta energy: -8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -150.604462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.604462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.604462 (E_RNA)
where:
Base-Base interactions energy: -85.169
where: short stacking energy: -43.744
Base-Backbone interact. energy: -0.437
local terms energy: -64.998456
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -5.115
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: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -108.813464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.813464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.813464 (E_RNA)
where:
Base-Base interactions energy: -38.806
where: short stacking energy: -38.706
Base-Backbone interact. energy: -0.029
local terms energy: -69.978565
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -296.819866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.819866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.819866 (E_RNA)
where:
Base-Base interactions energy: -181.103
where: short stacking energy: -87.845
Base-Backbone interact. energy: -1.065
local terms energy: -114.651805
where:
bonds (distance) C4'-P energy: -26.214
bonds (distance) P-C4' energy: -26.246
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -22.181
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: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -294.252468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.252468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.252468 (E_RNA)
where:
Base-Base interactions energy: -183.099
where: short stacking energy: -110.278
Base-Backbone interact. energy: -0.008
local terms energy: -111.146065
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -25.022
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -31.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -288.304735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.304735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.304735 (E_RNA)
where:
Base-Base interactions energy: -183.283
where: short stacking energy: -98.782
Base-Backbone interact. energy: -0.060
local terms energy: -104.960802
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -24.444
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -29.792
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: 64
Temperature: 1.050000
Total energy: -242.098425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.098425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.098425 (E_RNA)
where:
Base-Base interactions energy: -140.546
where: short stacking energy: -81.385
Base-Backbone interact. energy: -0.673
local terms energy: -100.879099
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -23.110
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -18.755
tors. eta vs tors. theta energy: -18.061
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: 64
Temperature: 1.100000
Total energy: -225.390479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.390479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.390479 (E_RNA)
where:
Base-Base interactions energy: -132.103
where: short stacking energy: -79.757
Base-Backbone interact. energy: 0.493
local terms energy: -93.780795
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -17.426
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -232.131310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.131310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.131310 (E_RNA)
where:
Base-Base interactions energy: -139.791
where: short stacking energy: -75.339
Base-Backbone interact. energy: 0.406
local terms energy: -92.746798
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -18.359
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -219.546853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.546853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.546853 (E_RNA)
where:
Base-Base interactions energy: -134.548
where: short stacking energy: -69.831
Base-Backbone interact. energy: -0.751
local terms energy: -84.248526
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -14.395
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: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -116.637086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.637086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.637086 (E_RNA)
where:
Base-Base interactions energy: -41.973
where: short stacking energy: -34.629
Base-Backbone interact. energy: 0.039
local terms energy: -74.703201
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -27.306
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -116.787406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.787406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.787406 (E_RNA)
where:
Base-Base interactions energy: -39.693
where: short stacking energy: -38.616
Base-Backbone interact. energy: -0.201
local terms energy: -76.893419
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -20.994
flat angles C4'-P-C4' energy: -20.340
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -132.225571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.225571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.225571 (E_RNA)
where:
Base-Base interactions energy: -60.379
where: short stacking energy: -32.555
Base-Backbone interact. energy: -0.188
local terms energy: -71.659068
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -312.101525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.101525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.101525 (E_RNA)
where:
Base-Base interactions energy: -195.231
where: short stacking energy: -94.382
Base-Backbone interact. energy: -0.985
local terms energy: -115.886241
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -26.695
flat angles C4'-P-C4' energy: -22.244
flat angles P-C4'-P energy: -19.258
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: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -290.411430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.411430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.411430 (E_RNA)
where:
Base-Base interactions energy: -174.021
where: short stacking energy: -95.319
Base-Backbone interact. energy: -0.374
local terms energy: -116.015701
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -26.218
flat angles C4'-P-C4' energy: -23.154
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -269.183086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.183086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.183086 (E_RNA)
where:
Base-Base interactions energy: -163.234
where: short stacking energy: -86.616
Base-Backbone interact. energy: -0.242
local terms energy: -105.707323
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -25.178
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: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -223.834558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.834558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.834558 (E_RNA)
where:
Base-Base interactions energy: -132.155
where: short stacking energy: -69.468
Base-Backbone interact. energy: -0.168
local terms energy: -91.512064
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -17.377
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: 65
Temperature: 1.100000
Total energy: -234.945853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.945853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.945853 (E_RNA)
where:
Base-Base interactions energy: -139.898
where: short stacking energy: -83.674
Base-Backbone interact. energy: -0.041
local terms energy: -95.006999
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -21.433
flat angles P-C4'-P energy: -13.248
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: 6, replica: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -232.846914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.846914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.846914 (E_RNA)
where:
Base-Base interactions energy: -146.734
where: short stacking energy: -80.097
Base-Backbone interact. energy: -0.227
local terms energy: -85.886771
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -21.466
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: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -207.484876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.484876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.484876 (E_RNA)
where:
Base-Base interactions energy: -116.255
where: short stacking energy: -71.709
Base-Backbone interact. energy: -0.168
local terms energy: -91.061179
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -21.108
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: 65
Temperature: 1.250000
Total energy: -133.218294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.218294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.218294 (E_RNA)
where:
Base-Base interactions energy: -71.832
where: short stacking energy: -45.481
Base-Backbone interact. energy: -0.150
local terms energy: -61.235559
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -108.184228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.184228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.184228 (E_RNA)
where:
Base-Base interactions energy: -40.170
where: short stacking energy: -40.170
Base-Backbone interact. energy: 1.084
local terms energy: -69.097433
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -7.461
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: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -95.539724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.539724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.539724 (E_RNA)
where:
Base-Base interactions energy: -16.390
where: short stacking energy: -15.247
Base-Backbone interact. energy: -0.651
local terms energy: -78.499060
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -25.964
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -10.391
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: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -306.249048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.249048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.249048 (E_RNA)
where:
Base-Base interactions energy: -192.979
where: short stacking energy: -109.849
Base-Backbone interact. energy: 0.729
local terms energy: -113.998503
where:
bonds (distance) C4'-P energy: -23.951
bonds (distance) P-C4' energy: -25.091
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -32.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -306.736806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.736806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.736806 (E_RNA)
where:
Base-Base interactions energy: -192.329
where: short stacking energy: -113.572
Base-Backbone interact. energy: -0.480
local terms energy: -113.927193
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -35.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -275.093897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.093897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.093897 (E_RNA)
where:
Base-Base interactions energy: -162.143
where: short stacking energy: -101.139
Base-Backbone interact. energy: -0.022
local terms energy: -112.928931
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -28.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -233.419812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.419812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.419812 (E_RNA)
where:
Base-Base interactions energy: -152.092
where: short stacking energy: -74.462
Base-Backbone interact. energy: -0.214
local terms energy: -81.113633
where:
bonds (distance) C4'-P energy: -19.811
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -224.950481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.950481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.950481 (E_RNA)
where:
Base-Base interactions energy: -137.723
where: short stacking energy: -76.478
Base-Backbone interact. energy: 0.454
local terms energy: -87.681162
where:
bonds (distance) C4'-P energy: -22.538
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -18.820
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: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -227.281326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.281326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.281326 (E_RNA)
where:
Base-Base interactions energy: -138.254
where: short stacking energy: -75.176
Base-Backbone interact. energy: -0.075
local terms energy: -88.952522
where:
bonds (distance) C4'-P energy: -24.620
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -204.726786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.726786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.726786 (E_RNA)
where:
Base-Base interactions energy: -119.652
where: short stacking energy: -67.680
Base-Backbone interact. energy: -0.660
local terms energy: -84.414824
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -17.951
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -126.199272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.199272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.199272 (E_RNA)
where:
Base-Base interactions energy: -51.112
where: short stacking energy: -37.022
Base-Backbone interact. energy: -0.201
local terms energy: -74.885958
where:
bonds (distance) C4'-P energy: -19.397
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -4.647
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: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -137.966534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.966534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.966534 (E_RNA)
where:
Base-Base interactions energy: -54.428
where: short stacking energy: -55.428
Base-Backbone interact. energy: -0.165
local terms energy: -83.373469
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -11.190
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: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -126.549924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.549924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.549924 (E_RNA)
where:
Base-Base interactions energy: -54.084
where: short stacking energy: -43.669
Base-Backbone interact. energy: -0.100
local terms energy: -72.365741
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -8.740
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: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -297.658759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.658759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.658759 (E_RNA)
where:
Base-Base interactions energy: -186.983
where: short stacking energy: -105.968
Base-Backbone interact. energy: -2.514
local terms energy: -108.161754
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -28.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -281.384123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.384123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.384123 (E_RNA)
where:
Base-Base interactions energy: -163.577
where: short stacking energy: -101.124
Base-Backbone interact. energy: -0.000
local terms energy: -117.806591
where:
bonds (distance) C4'-P energy: -24.624
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -31.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -289.705781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.705781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.705781 (E_RNA)
where:
Base-Base interactions energy: -178.994
where: short stacking energy: -92.301
Base-Backbone interact. energy: 0.266
local terms energy: -110.977580
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -21.087
flat angles C4'-P-C4' energy: -24.263
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -30.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -252.802427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.802427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.802427 (E_RNA)
where:
Base-Base interactions energy: -160.271
where: short stacking energy: -90.319
Base-Backbone interact. energy: -1.057
local terms energy: -91.474242
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -21.720
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -18.505
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -240.071723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.071723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.071723 (E_RNA)
where:
Base-Base interactions energy: -137.759
where: short stacking energy: -79.957
Base-Backbone interact. energy: -0.358
local terms energy: -101.954931
where:
bonds (distance) C4'-P energy: -24.030
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -21.916
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: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -225.813960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.813960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.813960 (E_RNA)
where:
Base-Base interactions energy: -138.320
where: short stacking energy: -70.480
Base-Backbone interact. energy: -0.403
local terms energy: -87.091005
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -215.702444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.702444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.702444 (E_RNA)
where:
Base-Base interactions energy: -125.702
where: short stacking energy: -69.521
Base-Backbone interact. energy: -0.159
local terms energy: -89.841338
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -23.944
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -19.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -171.852172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.852172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.852172 (E_RNA)
where:
Base-Base interactions energy: -94.084
where: short stacking energy: -54.921
Base-Backbone interact. energy: 2.574
local terms energy: -80.343114
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -25.609
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -16.356
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: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -100.529484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.529484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.529484 (E_RNA)
where:
Base-Base interactions energy: -25.602
where: short stacking energy: -23.709
Base-Backbone interact. energy: -0.304
local terms energy: -74.623156
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -20.959
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -119.536507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.536507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.536507 (E_RNA)
where:
Base-Base interactions energy: -47.063
where: short stacking energy: -47.063
Base-Backbone interact. energy: -0.306
local terms energy: -72.167256
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -293.991756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.991756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.991756 (E_RNA)
where:
Base-Base interactions energy: -180.947
where: short stacking energy: -105.228
Base-Backbone interact. energy: -0.231
local terms energy: -112.814393
where:
bonds (distance) C4'-P energy: -24.181
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -29.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -287.151715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.151715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.151715 (E_RNA)
where:
Base-Base interactions energy: -178.019
where: short stacking energy: -109.012
Base-Backbone interact. energy: -0.164
local terms energy: -108.968256
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -23.822
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -30.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -245.655120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.655120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.655120 (E_RNA)
where:
Base-Base interactions energy: -144.983
where: short stacking energy: -85.629
Base-Backbone interact. energy: -0.128
local terms energy: -100.544210
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -23.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -284.683157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.683157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.683157 (E_RNA)
where:
Base-Base interactions energy: -193.392
where: short stacking energy: -78.699
Base-Backbone interact. energy: 0.464
local terms energy: -91.754604
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -22.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -224.247012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.247012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.247012 (E_RNA)
where:
Base-Base interactions energy: -133.949
where: short stacking energy: -73.519
Base-Backbone interact. energy: -0.323
local terms energy: -89.975190
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -17.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -222.845859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.845859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.845859 (E_RNA)
where:
Base-Base interactions energy: -139.888
where: short stacking energy: -71.550
Base-Backbone interact. energy: -0.548
local terms energy: -82.409393
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -12.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -190.315020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.315020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.315020 (E_RNA)
where:
Base-Base interactions energy: -103.763
where: short stacking energy: -59.525
Base-Backbone interact. energy: -0.518
local terms energy: -86.034293
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -25.518
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -9.754
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: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -116.669865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.669865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.669865 (E_RNA)
where:
Base-Base interactions energy: -52.201
where: short stacking energy: -44.303
Base-Backbone interact. energy: 0.586
local terms energy: -65.054480
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: 0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -110.031539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.031539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.031539 (E_RNA)
where:
Base-Base interactions energy: -41.228
where: short stacking energy: -31.842
Base-Backbone interact. energy: -0.279
local terms energy: -68.524179
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -100.362050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.362050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.362050 (E_RNA)
where:
Base-Base interactions energy: -22.409
where: short stacking energy: -21.946
Base-Backbone interact. energy: -0.281
local terms energy: -77.671319
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -16.015
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: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -307.240729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.240729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.240729 (E_RNA)
where:
Base-Base interactions energy: -191.970
where: short stacking energy: -104.750
Base-Backbone interact. energy: -0.167
local terms energy: -115.103902
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -23.259
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -31.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -268.808679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.808679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.808679 (E_RNA)
where:
Base-Base interactions energy: -163.338
where: short stacking energy: -88.499
Base-Backbone interact. energy: -0.206
local terms energy: -105.264586
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -24.660
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -20.145
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: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -244.546452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.546452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.546452 (E_RNA)
where:
Base-Base interactions energy: -140.681
where: short stacking energy: -88.748
Base-Backbone interact. energy: -0.241
local terms energy: -103.624336
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -21.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -274.633761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.633761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.633761 (E_RNA)
where:
Base-Base interactions energy: -179.910
where: short stacking energy: -93.199
Base-Backbone interact. energy: -1.164
local terms energy: -93.559749
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -22.301
flat angles P-C4'-P energy: -13.865
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: 5, replica: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -230.374758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.374758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.374758 (E_RNA)
where:
Base-Base interactions energy: -133.247
where: short stacking energy: -77.907
Base-Backbone interact. energy: -0.227
local terms energy: -96.900193
where:
bonds (distance) C4'-P energy: -22.580
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -14.704
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: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -225.724107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.724107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.724107 (E_RNA)
where:
Base-Base interactions energy: -132.006
where: short stacking energy: -69.295
Base-Backbone interact. energy: -0.572
local terms energy: -93.146437
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -25.509
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -18.185
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -192.992643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.992643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.992643 (E_RNA)
where:
Base-Base interactions energy: -117.117
where: short stacking energy: -56.320
Base-Backbone interact. energy: -0.334
local terms energy: -75.542524
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -13.964
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: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -125.775157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.775157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.775157 (E_RNA)
where:
Base-Base interactions energy: -44.179
where: short stacking energy: -30.102
Base-Backbone interact. energy: 0.147
local terms energy: -81.743591
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -113.211635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.211635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.211635 (E_RNA)
where:
Base-Base interactions energy: -38.687
where: short stacking energy: -36.598
Base-Backbone interact. energy: -2.044
local terms energy: -72.480119
where:
bonds (distance) C4'-P energy: -22.777
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -4.216
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: 5
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -94.639688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.639688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.639688 (E_RNA)
where:
Base-Base interactions energy: -36.928
where: short stacking energy: -24.634
Base-Backbone interact. energy: 2.018
local terms energy: -59.729732
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -305.741047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.741047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.741047 (E_RNA)
where:
Base-Base interactions energy: -200.701
where: short stacking energy: -89.969
Base-Backbone interact. energy: -0.423
local terms energy: -104.616551
where:
bonds (distance) C4'-P energy: -23.954
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -23.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -269.139775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.139775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.139775 (E_RNA)
where:
Base-Base interactions energy: -163.414
where: short stacking energy: -89.692
Base-Backbone interact. energy: -0.018
local terms energy: -105.707415
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -25.419
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: -20.771
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: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -286.577382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.577382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.577382 (E_RNA)
where:
Base-Base interactions energy: -178.792
where: short stacking energy: -86.105
Base-Backbone interact. energy: -0.510
local terms energy: -107.276139
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -19.336
tors. eta vs tors. theta energy: -26.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -227.663092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.663092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.663092 (E_RNA)
where:
Base-Base interactions energy: -125.963
where: short stacking energy: -64.162
Base-Backbone interact. energy: -0.157
local terms energy: -101.543671
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -243.465411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.465411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.465411 (E_RNA)
where:
Base-Base interactions energy: -143.475
where: short stacking energy: -78.459
Base-Backbone interact. energy: -0.241
local terms energy: -99.749701
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -22.806
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: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -224.610390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.610390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.610390 (E_RNA)
where:
Base-Base interactions energy: -131.948
where: short stacking energy: -62.124
Base-Backbone interact. energy: -0.576
local terms energy: -92.086832
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -15.775
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: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -199.250405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.250405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.250405 (E_RNA)
where:
Base-Base interactions energy: -113.309
where: short stacking energy: -57.484
Base-Backbone interact. energy: -0.367
local terms energy: -85.573981
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -132.240255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.240255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.240255 (E_RNA)
where:
Base-Base interactions energy: -50.440
where: short stacking energy: -50.440
Base-Backbone interact. energy: -0.127
local terms energy: -81.673816
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -12.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -118.967126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.967126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.967126 (E_RNA)
where:
Base-Base interactions energy: -54.369
where: short stacking energy: -36.651
Base-Backbone interact. energy: -0.386
local terms energy: -64.211882
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -99.810391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.810391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.810391 (E_RNA)
where:
Base-Base interactions energy: -41.239
where: short stacking energy: -39.385
Base-Backbone interact. energy: 0.238
local terms energy: -58.809658
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: 2.305
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: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -306.139893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.139893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.139893 (E_RNA)
where:
Base-Base interactions energy: -193.405
where: short stacking energy: -98.896
Base-Backbone interact. energy: -0.228
local terms energy: -112.507040
where:
bonds (distance) C4'-P energy: -22.577
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -23.536
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -26.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -299.122725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.122725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.122725 (E_RNA)
where:
Base-Base interactions energy: -197.886
where: short stacking energy: -100.723
Base-Backbone interact. energy: -0.224
local terms energy: -101.013344
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -20.620
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -24.515
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: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -275.576111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.576111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.576111 (E_RNA)
where:
Base-Base interactions energy: -166.511
where: short stacking energy: -99.359
Base-Backbone interact. energy: -0.137
local terms energy: -108.928320
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -24.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -242.877277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.877277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.877277 (E_RNA)
where:
Base-Base interactions energy: -144.022
where: short stacking energy: -79.988
Base-Backbone interact. energy: -0.541
local terms energy: -98.313842
where:
bonds (distance) C4'-P energy: -23.974
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -21.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -220.521607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.521607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.521607 (E_RNA)
where:
Base-Base interactions energy: -128.741
where: short stacking energy: -58.220
Base-Backbone interact. energy: -0.772
local terms energy: -91.008865
where:
bonds (distance) C4'-P energy: -23.872
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -10.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -208.495116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.495116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.495116 (E_RNA)
where:
Base-Base interactions energy: -122.200
where: short stacking energy: -72.252
Base-Backbone interact. energy: -1.636
local terms energy: -84.658921
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -14.952
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: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -222.686994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.686994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.686994 (E_RNA)
where:
Base-Base interactions energy: -133.013
where: short stacking energy: -68.859
Base-Backbone interact. energy: -0.241
local terms energy: -89.432356
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -17.044
tors. eta vs tors. theta energy: -12.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -116.993061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.993061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.993061 (E_RNA)
where:
Base-Base interactions energy: -50.624
where: short stacking energy: -41.331
Base-Backbone interact. energy: -0.577
local terms energy: -65.791688
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -6.051
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: 9, replica: 1
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -113.546027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.546027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.546027 (E_RNA)
where:
Base-Base interactions energy: -40.232
where: short stacking energy: -38.117
Base-Backbone interact. energy: -0.050
local terms energy: -73.263289
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -108.348128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.348128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.348128 (E_RNA)
where:
Base-Base interactions energy: -43.532
where: short stacking energy: -39.309
Base-Backbone interact. energy: 1.148
local terms energy: -65.964120
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -8.992
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: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -301.309358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.309358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.309358 (E_RNA)
where:
Base-Base interactions energy: -189.712
where: short stacking energy: -98.970
Base-Backbone interact. energy: 0.104
local terms energy: -111.701642
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -24.518
flat angles C4'-P-C4' energy: -23.426
flat angles P-C4'-P energy: -16.031
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: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -300.617298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.617298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.617298 (E_RNA)
where:
Base-Base interactions energy: -187.890
where: short stacking energy: -95.430
Base-Backbone interact. energy: -1.090
local terms energy: -111.638032
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -30.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -252.640027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.640027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.640027 (E_RNA)
where:
Base-Base interactions energy: -143.849
where: short stacking energy: -80.932
Base-Backbone interact. energy: -0.045
local terms energy: -108.746526
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -24.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -259.101949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.101949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.101949 (E_RNA)
where:
Base-Base interactions energy: -159.958
where: short stacking energy: -81.360
Base-Backbone interact. energy: -0.074
local terms energy: -99.069665
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -18.020
tors. eta vs tors. theta energy: -22.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -246.452959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.452959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.452959 (E_RNA)
where:
Base-Base interactions energy: -142.845
where: short stacking energy: -88.952
Base-Backbone interact. energy: -2.201
local terms energy: -101.406457
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -30.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -169.805502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.805502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.805502 (E_RNA)
where:
Base-Base interactions energy: -96.157
where: short stacking energy: -50.065
Base-Backbone interact. energy: -0.484
local terms energy: -73.164470
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -5.973
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: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -212.680319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.680319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.680319 (E_RNA)
where:
Base-Base interactions energy: -130.116
where: short stacking energy: -68.321
Base-Backbone interact. energy: 1.000
local terms energy: -83.564825
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -13.050
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: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -134.328355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.328355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.328355 (E_RNA)
where:
Base-Base interactions energy: -60.400
where: short stacking energy: -49.076
Base-Backbone interact. energy: -0.352
local terms energy: -73.576648
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -104.040742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.040742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.040742 (E_RNA)
where:
Base-Base interactions energy: -38.174
where: short stacking energy: -30.689
Base-Backbone interact. energy: -0.576
local terms energy: -65.290873
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -13.919
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: 1
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -114.119475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.119475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.119475 (E_RNA)
where:
Base-Base interactions energy: -34.860
where: short stacking energy: -36.839
Base-Backbone interact. energy: -0.171
local terms energy: -79.089026
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -23.929
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -15.658
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: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -301.351736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.351736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.351736 (E_RNA)
where:
Base-Base interactions energy: -189.012
where: short stacking energy: -94.106
Base-Backbone interact. energy: 0.275
local terms energy: -112.615023
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -26.539
flat angles C4'-P-C4' energy: -24.536
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -24.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -298.860020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.860020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.860020 (E_RNA)
where:
Base-Base interactions energy: -188.705
where: short stacking energy: -97.279
Base-Backbone interact. energy: -0.489
local terms energy: -109.665884
where:
bonds (distance) C4'-P energy: -22.224
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -19.333
tors. eta vs tors. theta energy: -23.812
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: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -281.003598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.003598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.003598 (E_RNA)
where:
Base-Base interactions energy: -170.790
where: short stacking energy: -99.835
Base-Backbone interact. energy: -0.001
local terms energy: -110.211857
where:
bonds (distance) C4'-P energy: -23.015
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -29.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -237.666874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.666874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.666874 (E_RNA)
where:
Base-Base interactions energy: -148.485
where: short stacking energy: -75.200
Base-Backbone interact. energy: -0.123
local terms energy: -89.058809
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -11.140
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: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -255.807195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.807195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.807195 (E_RNA)
where:
Base-Base interactions energy: -157.345
where: short stacking energy: -88.561
Base-Backbone interact. energy: -0.337
local terms energy: -98.124799
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -20.881
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -23.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -224.981293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.981293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.981293 (E_RNA)
where:
Base-Base interactions energy: -135.974
where: short stacking energy: -79.843
Base-Backbone interact. energy: -0.045
local terms energy: -88.962423
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -165.869450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.869450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.869450 (E_RNA)
where:
Base-Base interactions energy: -80.319
where: short stacking energy: -46.306
Base-Backbone interact. energy: -0.351
local terms energy: -85.198987
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -17.490
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -127.583180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.583180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.583180 (E_RNA)
where:
Base-Base interactions energy: -42.973
where: short stacking energy: -36.763
Base-Backbone interact. energy: -0.811
local terms energy: -83.799769
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -9.761
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: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -121.815623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.815623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.815623 (E_RNA)
where:
Base-Base interactions energy: -44.218
where: short stacking energy: -44.218
Base-Backbone interact. energy: -0.246
local terms energy: -77.351968
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -24.075
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -113.006092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.006092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.006092 (E_RNA)
where:
Base-Base interactions energy: -42.876
where: short stacking energy: -37.191
Base-Backbone interact. energy: -0.305
local terms energy: -69.825485
where:
bonds (distance) C4'-P energy: -22.430
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -318.071024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.071024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.071024 (E_RNA)
where:
Base-Base interactions energy: -203.462
where: short stacking energy: -106.820
Base-Backbone interact. energy: -0.648
local terms energy: -113.961322
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -27.098
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -29.605
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: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -296.883021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.883021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.883021 (E_RNA)
where:
Base-Base interactions energy: -184.561
where: short stacking energy: -104.040
Base-Backbone interact. energy: -0.749
local terms energy: -111.572962
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -24.935
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -26.784
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: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -264.746239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.746239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.746239 (E_RNA)
where:
Base-Base interactions energy: -149.634
where: short stacking energy: -97.428
Base-Backbone interact. energy: -0.023
local terms energy: -115.088956
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -28.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -255.450614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.450614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.450614 (E_RNA)
where:
Base-Base interactions energy: -148.848
where: short stacking energy: -84.334
Base-Backbone interact. energy: 0.540
local terms energy: -107.142271
where:
bonds (distance) C4'-P energy: -24.803
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -30.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -267.983106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.983106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.983106 (E_RNA)
where:
Base-Base interactions energy: -175.019
where: short stacking energy: -102.581
Base-Backbone interact. energy: -0.042
local terms energy: -92.921937
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -23.608
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: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -214.257571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.257571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.257571 (E_RNA)
where:
Base-Base interactions energy: -124.901
where: short stacking energy: -73.630
Base-Backbone interact. energy: -0.027
local terms energy: -89.329026
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -121.518869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.518869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.518869 (E_RNA)
where:
Base-Base interactions energy: -48.854
where: short stacking energy: -48.854
Base-Backbone interact. energy: -0.375
local terms energy: -72.289555
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -13.982
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: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -130.831493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.831493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.831493 (E_RNA)
where:
Base-Base interactions energy: -54.433
where: short stacking energy: -50.083
Base-Backbone interact. energy: -0.705
local terms energy: -75.693120
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -107.027719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.027719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.027719 (E_RNA)
where:
Base-Base interactions energy: -35.347
where: short stacking energy: -30.396
Base-Backbone interact. energy: -0.278
local terms energy: -71.402370
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: 2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -108.834594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.834594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.834594 (E_RNA)
where:
Base-Base interactions energy: -37.489
where: short stacking energy: -28.718
Base-Backbone interact. energy: 1.306
local terms energy: -72.651283
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -19.312
tors. eta vs tors. theta energy: 0.740
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: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -315.234646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.234646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.234646 (E_RNA)
where:
Base-Base interactions energy: -204.075
where: short stacking energy: -114.560
Base-Backbone interact. energy: -0.571
local terms energy: -110.588237
where:
bonds (distance) C4'-P energy: -24.366
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -31.647
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: 75
Temperature: 0.950000
Total energy: -282.638545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.638545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.638545 (E_RNA)
where:
Base-Base interactions energy: -161.986
where: short stacking energy: -104.440
Base-Backbone interact. energy: -0.003
local terms energy: -120.649084
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -26.252
flat angles P-C4'-P energy: -18.512
tors. eta vs tors. theta energy: -29.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -283.326554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.326554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.326554 (E_RNA)
where:
Base-Base interactions energy: -180.781
where: short stacking energy: -92.040
Base-Backbone interact. energy: -0.288
local terms energy: -102.257340
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -28.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -289.214244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.214244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.214244 (E_RNA)
where:
Base-Base interactions energy: -172.243
where: short stacking energy: -99.666
Base-Backbone interact. energy: -0.012
local terms energy: -116.958962
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -30.663
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: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -227.166180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.166180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.166180 (E_RNA)
where:
Base-Base interactions energy: -129.441
where: short stacking energy: -68.436
Base-Backbone interact. energy: -0.138
local terms energy: -97.587226
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -19.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -201.600414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.600414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.600414 (E_RNA)
where:
Base-Base interactions energy: -112.881
where: short stacking energy: -56.073
Base-Backbone interact. energy: -0.491
local terms energy: -88.228118
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -129.521619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.521619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.521619 (E_RNA)
where:
Base-Base interactions energy: -50.138
where: short stacking energy: -39.191
Base-Backbone interact. energy: 0.099
local terms energy: -79.481783
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -5.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -117.735252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.735252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.735252 (E_RNA)
where:
Base-Base interactions energy: -60.478
where: short stacking energy: -43.598
Base-Backbone interact. energy: 5.741
local terms energy: -62.997838
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: 1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -116.752438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.752438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.752438 (E_RNA)
where:
Base-Base interactions energy: -52.879
where: short stacking energy: -29.999
Base-Backbone interact. energy: -0.190
local terms energy: -63.683580
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -104.219228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.219228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.219228 (E_RNA)
where:
Base-Base interactions energy: -26.377
where: short stacking energy: -24.636
Base-Backbone interact. energy: -0.183
local terms energy: -77.659375
where:
bonds (distance) C4'-P energy: -25.465
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -2.362
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: 76
Temperature: 0.900000
Total energy: -315.531652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.531652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.531652 (E_RNA)
where:
Base-Base interactions energy: -199.902
where: short stacking energy: -105.171
Base-Backbone interact. energy: -0.678
local terms energy: -114.951150
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -33.405
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: 76
Temperature: 0.950000
Total energy: -267.598322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.598322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.598322 (E_RNA)
where:
Base-Base interactions energy: -156.434
where: short stacking energy: -97.846
Base-Backbone interact. energy: -0.039
local terms energy: -111.125150
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -24.643
flat angles C4'-P-C4' energy: -23.743
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -27.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -278.100013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.100013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.100013 (E_RNA)
where:
Base-Base interactions energy: -176.627
where: short stacking energy: -91.543
Base-Backbone interact. energy: -0.686
local terms energy: -100.786507
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -24.283
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: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -267.807276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.807276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.807276 (E_RNA)
where:
Base-Base interactions energy: -163.945
where: short stacking energy: -82.258
Base-Backbone interact. energy: -0.250
local terms energy: -103.613037
where:
bonds (distance) C4'-P energy: -21.785
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -15.200
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: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -233.118581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.118581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.118581 (E_RNA)
where:
Base-Base interactions energy: -138.345
where: short stacking energy: -79.877
Base-Backbone interact. energy: -0.287
local terms energy: -94.486420
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -19.912
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: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -219.781718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.781718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.781718 (E_RNA)
where:
Base-Base interactions energy: -127.178
where: short stacking energy: -68.221
Base-Backbone interact. energy: -0.331
local terms energy: -92.272412
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -13.300
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: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -135.253910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.253910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.253910 (E_RNA)
where:
Base-Base interactions energy: -58.599
where: short stacking energy: -56.956
Base-Backbone interact. energy: -0.551
local terms energy: -76.104478
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -8.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -123.134277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.134277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.134277 (E_RNA)
where:
Base-Base interactions energy: -41.000
where: short stacking energy: -41.000
Base-Backbone interact. energy: -0.120
local terms energy: -82.014923
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -10.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -110.935274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.935274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.935274 (E_RNA)
where:
Base-Base interactions energy: -25.593
where: short stacking energy: -23.900
Base-Backbone interact. energy: -0.316
local terms energy: -85.026195
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: 1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -110.703733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.703733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.703733 (E_RNA)
where:
Base-Base interactions energy: -37.066
where: short stacking energy: -33.758
Base-Backbone interact. energy: -0.796
local terms energy: -72.841589
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -2.714
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: 77
Temperature: 0.900000
Total energy: -297.289434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.289434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.289434 (E_RNA)
where:
Base-Base interactions energy: -188.866
where: short stacking energy: -92.494
Base-Backbone interact. energy: -0.215
local terms energy: -108.209334
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -27.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -301.515687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.515687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.515687 (E_RNA)
where:
Base-Base interactions energy: -199.484
where: short stacking energy: -98.372
Base-Backbone interact. energy: -0.832
local terms energy: -101.199670
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -26.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -267.147583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.147583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.147583 (E_RNA)
where:
Base-Base interactions energy: -156.555
where: short stacking energy: -94.502
Base-Backbone interact. energy: -0.045
local terms energy: -110.548210
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -30.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -286.365111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.365111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.365111 (E_RNA)
where:
Base-Base interactions energy: -173.394
where: short stacking energy: -100.950
Base-Backbone interact. energy: -0.014
local terms energy: -112.956625
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -23.597
flat angles P-C4'-P energy: -14.885
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: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -225.448486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.448486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.448486 (E_RNA)
where:
Base-Base interactions energy: -134.891
where: short stacking energy: -81.429
Base-Backbone interact. energy: -0.042
local terms energy: -90.516284
where:
bonds (distance) C4'-P energy: -23.781
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -237.990224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.990224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.990224 (E_RNA)
where:
Base-Base interactions energy: -148.751
where: short stacking energy: -81.877
Base-Backbone interact. energy: 0.072
local terms energy: -89.311186
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -126.311482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.311482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.311482 (E_RNA)
where:
Base-Base interactions energy: -45.497
where: short stacking energy: -45.497
Base-Backbone interact. energy: -0.396
local terms energy: -80.418200
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -7.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -130.281843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.281843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.281843 (E_RNA)
where:
Base-Base interactions energy: -49.458
where: short stacking energy: -49.332
Base-Backbone interact. energy: -0.213
local terms energy: -80.610693
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -106.734963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.734963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.734963 (E_RNA)
where:
Base-Base interactions energy: -33.176
where: short stacking energy: -20.773
Base-Backbone interact. energy: -1.273
local terms energy: -72.286328
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -110.197881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.197881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.197881 (E_RNA)
where:
Base-Base interactions energy: -37.398
where: short stacking energy: -35.976
Base-Backbone interact. energy: 2.872
local terms energy: -75.671262
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -19.211
tors. eta vs tors. theta energy: 1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -305.801902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.801902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.801902 (E_RNA)
where:
Base-Base interactions energy: -198.625
where: short stacking energy: -98.309
Base-Backbone interact. energy: -0.589
local terms energy: -106.588356
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -24.420
flat angles P-C4'-P energy: -14.207
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: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -283.646000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.646000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.646000 (E_RNA)
where:
Base-Base interactions energy: -178.615
where: short stacking energy: -99.823
Base-Backbone interact. energy: -0.161
local terms energy: -104.869910
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -26.541
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: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -276.884342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.884342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.884342 (E_RNA)
where:
Base-Base interactions energy: -163.913
where: short stacking energy: -99.384
Base-Backbone interact. energy: 0.559
local terms energy: -113.530331
where:
bonds (distance) C4'-P energy: -21.571
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -30.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -241.399300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.399300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.399300 (E_RNA)
where:
Base-Base interactions energy: -144.267
where: short stacking energy: -84.645
Base-Backbone interact. energy: 0.800
local terms energy: -97.932320
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -18.034
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -19.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -252.755286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.755286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.755286 (E_RNA)
where:
Base-Base interactions energy: -147.863
where: short stacking energy: -84.828
Base-Backbone interact. energy: -1.274
local terms energy: -103.617430
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -26.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -204.555507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.555507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.555507 (E_RNA)
where:
Base-Base interactions energy: -109.026
where: short stacking energy: -59.575
Base-Backbone interact. energy: -0.388
local terms energy: -95.141498
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -18.496
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -132.128507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.128507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.128507 (E_RNA)
where:
Base-Base interactions energy: -50.086
where: short stacking energy: -50.086
Base-Backbone interact. energy: -0.083
local terms energy: -81.959512
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -20.877
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -14.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -123.952683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.952683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.952683 (E_RNA)
where:
Base-Base interactions energy: -42.891
where: short stacking energy: -42.682
Base-Backbone interact. energy: -0.028
local terms energy: -81.034204
where:
bonds (distance) C4'-P energy: -23.176
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -117.187006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.187006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.187006 (E_RNA)
where:
Base-Base interactions energy: -55.919
where: short stacking energy: -29.646
Base-Backbone interact. energy: 0.148
local terms energy: -61.415863
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -104.208878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.208878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.208878 (E_RNA)
where:
Base-Base interactions energy: -40.816
where: short stacking energy: -31.701
Base-Backbone interact. energy: -0.186
local terms energy: -63.207317
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -3.062
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: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -317.472528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.472528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.472528 (E_RNA)
where:
Base-Base interactions energy: -205.255
where: short stacking energy: -105.431
Base-Backbone interact. energy: 0.273
local terms energy: -112.489764
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -26.700
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -30.910
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: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -275.261543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.261543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.261543 (E_RNA)
where:
Base-Base interactions energy: -172.012
where: short stacking energy: -99.726
Base-Backbone interact. energy: -0.104
local terms energy: -103.145456
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -30.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -286.143367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.143367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.143367 (E_RNA)
where:
Base-Base interactions energy: -174.233
where: short stacking energy: -100.539
Base-Backbone interact. energy: -0.265
local terms energy: -111.645290
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -17.341
tors. eta vs tors. theta energy: -28.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -250.926942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.926942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.926942 (E_RNA)
where:
Base-Base interactions energy: -149.991
where: short stacking energy: -94.232
Base-Backbone interact. energy: -0.004
local terms energy: -100.931481
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -25.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -223.792385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.792385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.792385 (E_RNA)
where:
Base-Base interactions energy: -132.634
where: short stacking energy: -76.961
Base-Backbone interact. energy: -0.086
local terms energy: -91.072368
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -24.408
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -18.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -205.554551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.554551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.554551 (E_RNA)
where:
Base-Base interactions energy: -115.350
where: short stacking energy: -69.865
Base-Backbone interact. energy: -0.094
local terms energy: -90.109892
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -133.645378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.645378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.645378 (E_RNA)
where:
Base-Base interactions energy: -58.488
where: short stacking energy: -46.921
Base-Backbone interact. energy: -0.160
local terms energy: -74.996934
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -11.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -119.227674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.227674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.227674 (E_RNA)
where:
Base-Base interactions energy: -33.341
where: short stacking energy: -30.283
Base-Backbone interact. energy: -0.082
local terms energy: -85.804903
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -24.316
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -14.451
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: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -110.013542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.013542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.013542 (E_RNA)
where:
Base-Base interactions energy: -38.720
where: short stacking energy: -33.988
Base-Backbone interact. energy: 0.735
local terms energy: -72.028464
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -104.824975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.824975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.824975 (E_RNA)
where:
Base-Base interactions energy: -40.601
where: short stacking energy: -28.628
Base-Backbone interact. energy: -0.369
local terms energy: -63.854768
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: 2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -325.065243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.065243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.065243 (E_RNA)
where:
Base-Base interactions energy: -212.349
where: short stacking energy: -118.105
Base-Backbone interact. energy: -0.313
local terms energy: -112.402500
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -14.348
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: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -290.729190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.729190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.729190 (E_RNA)
where:
Base-Base interactions energy: -174.998
where: short stacking energy: -95.533
Base-Backbone interact. energy: -0.201
local terms energy: -115.530354
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -25.190
flat angles C4'-P-C4' energy: -24.089
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -28.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -271.929884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.929884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.929884 (E_RNA)
where:
Base-Base interactions energy: -176.167
where: short stacking energy: -90.032
Base-Backbone interact. energy: -0.261
local terms energy: -95.501292
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -23.918
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -22.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -230.478380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.478380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.478380 (E_RNA)
where:
Base-Base interactions energy: -128.965
where: short stacking energy: -71.525
Base-Backbone interact. energy: -0.154
local terms energy: -101.360227
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -22.736
flat angles C4'-P-C4' energy: -26.159
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: -14.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -242.058046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.058046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.058046 (E_RNA)
where:
Base-Base interactions energy: -150.819
where: short stacking energy: -87.859
Base-Backbone interact. energy: -0.139
local terms energy: -91.100132
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -22.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -210.570734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.570734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.570734 (E_RNA)
where:
Base-Base interactions energy: -120.014
where: short stacking energy: -66.665
Base-Backbone interact. energy: -0.080
local terms energy: -90.476073
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -128.107333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.107333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.107333 (E_RNA)
where:
Base-Base interactions energy: -49.736
where: short stacking energy: -52.836
Base-Backbone interact. energy: 1.159
local terms energy: -79.529791
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -7.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -136.038223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.038223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.038223 (E_RNA)
where:
Base-Base interactions energy: -73.806
where: short stacking energy: -40.111
Base-Backbone interact. energy: -0.375
local terms energy: -61.857108
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -4.931
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: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -105.012695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.012695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.012695 (E_RNA)
where:
Base-Base interactions energy: -32.273
where: short stacking energy: -33.473
Base-Backbone interact. energy: 0.737
local terms energy: -73.476527
where:
bonds (distance) C4'-P energy: -23.627
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -106.752344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.752344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.752344 (E_RNA)
where:
Base-Base interactions energy: -36.339
where: short stacking energy: -33.096
Base-Backbone interact. energy: -1.901
local terms energy: -68.512013
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -5.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -319.049585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.049585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.049585 (E_RNA)
where:
Base-Base interactions energy: -200.504
where: short stacking energy: -100.825
Base-Backbone interact. energy: -0.664
local terms energy: -117.881669
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -26.023
flat angles C4'-P-C4' energy: -26.536
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -26.165
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: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -303.888870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.888870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.888870 (E_RNA)
where:
Base-Base interactions energy: -184.995
where: short stacking energy: -115.751
Base-Backbone interact. energy: -0.002
local terms energy: -118.891864
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -23.792
flat angles C4'-P-C4' energy: -27.611
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -29.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -273.545501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.545501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.545501 (E_RNA)
where:
Base-Base interactions energy: -177.351
where: short stacking energy: -89.736
Base-Backbone interact. energy: -0.165
local terms energy: -96.029695
where:
bonds (distance) C4'-P energy: -21.229
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -22.393
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: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -246.624865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.624865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.624865 (E_RNA)
where:
Base-Base interactions energy: -154.462
where: short stacking energy: -67.477
Base-Backbone interact. energy: -0.514
local terms energy: -91.648889
where:
bonds (distance) C4'-P energy: -23.285
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -16.547
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: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -225.846449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.846449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.846449 (E_RNA)
where:
Base-Base interactions energy: -135.704
where: short stacking energy: -83.044
Base-Backbone interact. energy: -0.136
local terms energy: -90.006651
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -10.011
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: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -226.072315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.072315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.072315 (E_RNA)
where:
Base-Base interactions energy: -141.479
where: short stacking energy: -74.907
Base-Backbone interact. energy: -0.229
local terms energy: -84.363918
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -22.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -149.045964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.045964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.045964 (E_RNA)
where:
Base-Base interactions energy: -65.812
where: short stacking energy: -53.747
Base-Backbone interact. energy: 0.862
local terms energy: -84.095415
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -23.551
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -144.269126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.269126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.269126 (E_RNA)
where:
Base-Base interactions energy: -68.361
where: short stacking energy: -30.410
Base-Backbone interact. energy: -0.424
local terms energy: -75.484014
where:
bonds (distance) C4'-P energy: -21.474
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -9.677
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: 9, replica: 3
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -118.330416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.330416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.330416 (E_RNA)
where:
Base-Base interactions energy: -42.501
where: short stacking energy: -34.998
Base-Backbone interact. energy: 0.076
local terms energy: -75.905466
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -16.077
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: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -102.095288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.095288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.095288 (E_RNA)
where:
Base-Base interactions energy: -30.025
where: short stacking energy: -29.483
Base-Backbone interact. energy: -0.332
local terms energy: -71.737611
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -330.559814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.559814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.559814 (E_RNA)
where:
Base-Base interactions energy: -213.502
where: short stacking energy: -113.022
Base-Backbone interact. energy: -0.357
local terms energy: -116.701435
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -32.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -297.782874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.782874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.782874 (E_RNA)
where:
Base-Base interactions energy: -190.531
where: short stacking energy: -104.937
Base-Backbone interact. energy: 0.268
local terms energy: -107.520690
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -30.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -245.270493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.270493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.270493 (E_RNA)
where:
Base-Base interactions energy: -140.403
where: short stacking energy: -78.272
Base-Backbone interact. energy: 0.391
local terms energy: -105.257758
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -25.827
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -19.899
tors. eta vs tors. theta energy: -20.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -271.777358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.777358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.777358 (E_RNA)
where:
Base-Base interactions energy: -171.770
where: short stacking energy: -83.351
Base-Backbone interact. energy: 3.771
local terms energy: -103.778116
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -24.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -245.680211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.680211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.680211 (E_RNA)
where:
Base-Base interactions energy: -141.917
where: short stacking energy: -83.468
Base-Backbone interact. energy: -0.044
local terms energy: -103.719662
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -27.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -201.240355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.240355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.240355 (E_RNA)
where:
Base-Base interactions energy: -114.878
where: short stacking energy: -58.788
Base-Backbone interact. energy: -0.234
local terms energy: -86.128739
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -24.564
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -14.786
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: 82
Temperature: 1.200000
Total energy: -129.824579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.824579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.824579 (E_RNA)
where:
Base-Base interactions energy: -52.658
where: short stacking energy: -52.632
Base-Backbone interact. energy: -0.248
local terms energy: -76.918193
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -123.517090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.517090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.517090 (E_RNA)
where:
Base-Base interactions energy: -50.066
where: short stacking energy: -48.012
Base-Backbone interact. energy: -0.618
local terms energy: -72.832954
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -115.618417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.618417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.618417 (E_RNA)
where:
Base-Base interactions energy: -37.520
where: short stacking energy: -37.520
Base-Backbone interact. energy: -0.049
local terms energy: -78.049210
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -107.816379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.816379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.816379 (E_RNA)
where:
Base-Base interactions energy: -40.715
where: short stacking energy: -37.049
Base-Backbone interact. energy: -0.203
local terms energy: -66.898685
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -23.188
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -7.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -323.958586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.958586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.958586 (E_RNA)
where:
Base-Base interactions energy: -206.083
where: short stacking energy: -108.221
Base-Backbone interact. energy: 0.229
local terms energy: -118.103785
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -27.964
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -32.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -284.008529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.008529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.008529 (E_RNA)
where:
Base-Base interactions energy: -177.759
where: short stacking energy: -99.544
Base-Backbone interact. energy: -0.225
local terms energy: -106.025107
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -22.708
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -26.650
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: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -258.385514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.385514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.385514 (E_RNA)
where:
Base-Base interactions energy: -149.657
where: short stacking energy: -98.215
Base-Backbone interact. energy: -1.336
local terms energy: -107.392866
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -25.811
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -30.251
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: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -247.038841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.038841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.038841 (E_RNA)
where:
Base-Base interactions energy: -148.105
where: short stacking energy: -82.868
Base-Backbone interact. energy: -0.267
local terms energy: -98.666895
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: -15.656
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: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -216.537039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.537039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.537039 (E_RNA)
where:
Base-Base interactions energy: -132.935
where: short stacking energy: -81.136
Base-Backbone interact. energy: -0.237
local terms energy: -83.365264
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -11.176
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: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -210.369331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.369331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.369331 (E_RNA)
where:
Base-Base interactions energy: -116.811
where: short stacking energy: -74.356
Base-Backbone interact. energy: -0.086
local terms energy: -93.472577
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -23.588
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -16.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -119.352959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.352959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.352959 (E_RNA)
where:
Base-Base interactions energy: -37.613
where: short stacking energy: -34.751
Base-Backbone interact. energy: -1.466
local terms energy: -80.273669
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -121.016232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.016232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.016232 (E_RNA)
where:
Base-Base interactions energy: -38.275
where: short stacking energy: -38.275
Base-Backbone interact. energy: -0.156
local terms energy: -82.585660
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -12.121
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: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -116.023294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.023294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.023294 (E_RNA)
where:
Base-Base interactions energy: -42.072
where: short stacking energy: -27.777
Base-Backbone interact. energy: -0.358
local terms energy: -73.593804
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -100.904018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.904018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.904018 (E_RNA)
where:
Base-Base interactions energy: -31.503
where: short stacking energy: -31.503
Base-Backbone interact. energy: 1.342
local terms energy: -70.743410
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -313.226116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.226116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.226116 (E_RNA)
where:
Base-Base interactions energy: -199.495
where: short stacking energy: -104.129
Base-Backbone interact. energy: -0.730
local terms energy: -113.001572
where:
bonds (distance) C4'-P energy: -25.002
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -27.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -305.915044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.915044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.915044 (E_RNA)
where:
Base-Base interactions energy: -184.185
where: short stacking energy: -109.061
Base-Backbone interact. energy: -0.044
local terms energy: -121.686469
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -25.457
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -31.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -270.647395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.647395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.647395 (E_RNA)
where:
Base-Base interactions energy: -171.453
where: short stacking energy: -80.964
Base-Backbone interact. energy: -0.444
local terms energy: -98.750727
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -23.939
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: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -258.188332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.188332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.188332 (E_RNA)
where:
Base-Base interactions energy: -153.959
where: short stacking energy: -90.595
Base-Backbone interact. energy: -0.049
local terms energy: -104.179507
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -25.824
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -24.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -229.548516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.548516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.548516 (E_RNA)
where:
Base-Base interactions energy: -129.442
where: short stacking energy: -75.757
Base-Backbone interact. energy: 0.109
local terms energy: -100.215701
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -14.148
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: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -190.553475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.553475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.553475 (E_RNA)
where:
Base-Base interactions energy: -113.119
where: short stacking energy: -57.578
Base-Backbone interact. energy: 0.432
local terms energy: -77.865950
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -126.047703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.047703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.047703 (E_RNA)
where:
Base-Base interactions energy: -37.660
where: short stacking energy: -30.685
Base-Backbone interact. energy: -0.263
local terms energy: -88.125048
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -7.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -116.711233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.711233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.711233 (E_RNA)
where:
Base-Base interactions energy: -37.462
where: short stacking energy: -37.247
Base-Backbone interact. energy: 0.442
local terms energy: -79.691488
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -112.124176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.124176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.124176 (E_RNA)
where:
Base-Base interactions energy: -39.644
where: short stacking energy: -29.084
Base-Backbone interact. energy: 0.290
local terms energy: -72.770153
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -104.811308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.811308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.811308 (E_RNA)
where:
Base-Base interactions energy: -42.401
where: short stacking energy: -38.437
Base-Backbone interact. energy: -0.120
local terms energy: -62.290578
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -1.925
tors. eta vs tors. theta energy: -6.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -321.477311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.477311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.477311 (E_RNA)
where:
Base-Base interactions energy: -208.618
where: short stacking energy: -108.935
Base-Backbone interact. energy: 1.843
local terms energy: -114.701619
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -29.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -298.251028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.251028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.251028 (E_RNA)
where:
Base-Base interactions energy: -182.490
where: short stacking energy: -93.595
Base-Backbone interact. energy: -0.072
local terms energy: -115.689231
where:
bonds (distance) C4'-P energy: -24.211
bonds (distance) P-C4' energy: -24.957
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -30.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -278.231419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.231419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.231419 (E_RNA)
where:
Base-Base interactions energy: -174.531
where: short stacking energy: -92.763
Base-Backbone interact. energy: -0.027
local terms energy: -103.673736
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -23.120
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: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -230.209337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.209337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.209337 (E_RNA)
where:
Base-Base interactions energy: -128.703
where: short stacking energy: -82.978
Base-Backbone interact. energy: -0.151
local terms energy: -101.355564
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -22.581
flat angles P-C4'-P energy: -19.051
tors. eta vs tors. theta energy: -22.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -204.749726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.749726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.749726 (E_RNA)
where:
Base-Base interactions energy: -109.259
where: short stacking energy: -68.478
Base-Backbone interact. energy: -0.186
local terms energy: -95.304095
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -120.498499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.498499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.498499 (E_RNA)
where:
Base-Base interactions energy: -48.699
where: short stacking energy: -46.857
Base-Backbone interact. energy: -0.216
local terms energy: -71.583012
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -7.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -177.897513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.897513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.897513 (E_RNA)
where:
Base-Base interactions energy: -103.760
where: short stacking energy: -64.251
Base-Backbone interact. energy: -0.315
local terms energy: -73.822609
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -9.011
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: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -130.138339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.138339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.138339 (E_RNA)
where:
Base-Base interactions energy: -46.557
where: short stacking energy: -46.557
Base-Backbone interact. energy: -0.161
local terms energy: -83.420282
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -23.036
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -10.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -105.557847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.557847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.557847 (E_RNA)
where:
Base-Base interactions energy: -43.908
where: short stacking energy: -38.904
Base-Backbone interact. energy: 0.491
local terms energy: -62.141554
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -99.090962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.090962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.090962 (E_RNA)
where:
Base-Base interactions energy: -35.762
where: short stacking energy: -33.673
Base-Backbone interact. energy: 0.551
local terms energy: -63.880445
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: 3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -323.317841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.317841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.317841 (E_RNA)
where:
Base-Base interactions energy: -213.096
where: short stacking energy: -111.143
Base-Backbone interact. energy: -0.664
local terms energy: -109.558137
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -28.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -287.898872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.898872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.898872 (E_RNA)
where:
Base-Base interactions energy: -181.671
where: short stacking energy: -98.559
Base-Backbone interact. energy: -0.221
local terms energy: -106.006585
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -26.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -251.898761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.898761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.898761 (E_RNA)
where:
Base-Base interactions energy: -151.791
where: short stacking energy: -86.694
Base-Backbone interact. energy: -0.035
local terms energy: -100.072823
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -27.525
flat angles C4'-P-C4' energy: -25.568
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -19.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -259.505510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.505510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.505510 (E_RNA)
where:
Base-Base interactions energy: -157.829
where: short stacking energy: -100.841
Base-Backbone interact. energy: -0.086
local terms energy: -101.590150
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -25.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -186.024585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.024585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.024585 (E_RNA)
where:
Base-Base interactions energy: -100.403
where: short stacking energy: -71.609
Base-Backbone interact. energy: 0.124
local terms energy: -85.745500
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -21.501
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -136.146502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.146502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.146502 (E_RNA)
where:
Base-Base interactions energy: -62.196
where: short stacking energy: -59.327
Base-Backbone interact. energy: -0.144
local terms energy: -73.806503
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -11.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -141.379114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.379114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.379114 (E_RNA)
where:
Base-Base interactions energy: -61.344
where: short stacking energy: -51.788
Base-Backbone interact. energy: -0.271
local terms energy: -79.763757
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -26.494
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -178.752521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.752521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.752521 (E_RNA)
where:
Base-Base interactions energy: -99.546
where: short stacking energy: -60.805
Base-Backbone interact. energy: -0.006
local terms energy: -79.200891
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -112.113633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.113633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.113633 (E_RNA)
where:
Base-Base interactions energy: -43.175
where: short stacking energy: -42.695
Base-Backbone interact. energy: -0.103
local terms energy: -68.835710
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -10.548
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: 10, replica: 1
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -132.197036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.197036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.197036 (E_RNA)
where:
Base-Base interactions energy: -67.602
where: short stacking energy: -47.365
Base-Backbone interact. energy: -0.158
local terms energy: -64.437752
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -3.684
tors. eta vs tors. theta energy: -3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -316.186591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.186591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.186591 (E_RNA)
where:
Base-Base interactions energy: -204.152
where: short stacking energy: -107.750
Base-Backbone interact. energy: -1.020
local terms energy: -111.014755
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -26.564
flat angles P-C4'-P energy: -15.035
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: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -311.485593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.485593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.485593 (E_RNA)
where:
Base-Base interactions energy: -191.522
where: short stacking energy: -105.407
Base-Backbone interact. energy: -0.301
local terms energy: -119.663182
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -20.639
tors. eta vs tors. theta energy: -33.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -271.328901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.328901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.328901 (E_RNA)
where:
Base-Base interactions energy: -166.357
where: short stacking energy: -101.515
Base-Backbone interact. energy: -0.124
local terms energy: -104.848077
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -23.529
flat angles P-C4'-P energy: -13.002
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: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -236.186499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.186499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.186499 (E_RNA)
where:
Base-Base interactions energy: -134.690
where: short stacking energy: -87.860
Base-Backbone interact. energy: -0.170
local terms energy: -101.326793
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -20.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -188.917461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.917461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.917461 (E_RNA)
where:
Base-Base interactions energy: -95.428
where: short stacking energy: -64.792
Base-Backbone interact. energy: -0.081
local terms energy: -93.409266
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -20.808
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -139.949481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.949481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.949481 (E_RNA)
where:
Base-Base interactions energy: -50.890
where: short stacking energy: -38.460
Base-Backbone interact. energy: -0.138
local terms energy: -88.921192
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -129.250612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.250612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.250612 (E_RNA)
where:
Base-Base interactions energy: -48.940
where: short stacking energy: -42.680
Base-Backbone interact. energy: -0.651
local terms energy: -79.659792
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -10.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -198.519145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.519145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.519145 (E_RNA)
where:
Base-Base interactions energy: -117.513
where: short stacking energy: -67.371
Base-Backbone interact. energy: 2.641
local terms energy: -83.647399
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -15.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -108.498979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.498979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.498979 (E_RNA)
where:
Base-Base interactions energy: -36.176
where: short stacking energy: -36.176
Base-Backbone interact. energy: 0.314
local terms energy: -72.636584
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -107.404714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.404714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.404714 (E_RNA)
where:
Base-Base interactions energy: -29.905
where: short stacking energy: -23.128
Base-Backbone interact. energy: -0.217
local terms energy: -77.283616
where:
bonds (distance) C4'-P energy: -26.127
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -21.846
flat angles P-C4'-P energy: -13.026
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: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -311.410996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.410996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.410996 (E_RNA)
where:
Base-Base interactions energy: -193.618
where: short stacking energy: -113.577
Base-Backbone interact. energy: -0.136
local terms energy: -117.656540
where:
bonds (distance) C4'-P energy: -27.030
bonds (distance) P-C4' energy: -22.198
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -33.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -297.093378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.093378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.093378 (E_RNA)
where:
Base-Base interactions energy: -185.471
where: short stacking energy: -94.964
Base-Backbone interact. energy: -0.376
local terms energy: -111.246812
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -23.298
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -25.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -251.631993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.631993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.631993 (E_RNA)
where:
Base-Base interactions energy: -153.977
where: short stacking energy: -89.989
Base-Backbone interact. energy: -0.098
local terms energy: -97.556793
where:
bonds (distance) C4'-P energy: -24.260
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -24.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -267.733805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.733805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.733805 (E_RNA)
where:
Base-Base interactions energy: -165.546
where: short stacking energy: -90.985
Base-Backbone interact. energy: 0.073
local terms energy: -102.261616
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -22.555
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -26.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -183.211910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.211910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.211910 (E_RNA)
where:
Base-Base interactions energy: -97.822
where: short stacking energy: -57.501
Base-Backbone interact. energy: 1.118
local terms energy: -86.507737
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -13.176
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: 6, replica: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -148.598330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.598330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.598330 (E_RNA)
where:
Base-Base interactions energy: -59.553
where: short stacking energy: -54.715
Base-Backbone interact. energy: -0.680
local terms energy: -88.365114
where:
bonds (distance) C4'-P energy: -21.709
bonds (distance) P-C4' energy: -22.899
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -11.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -196.722632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.722632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.722632 (E_RNA)
where:
Base-Base interactions energy: -97.646
where: short stacking energy: -52.381
Base-Backbone interact. energy: -0.098
local terms energy: -98.978833
where:
bonds (distance) C4'-P energy: -27.534
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -13.920
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: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -134.016825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.016825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.016825 (E_RNA)
where:
Base-Base interactions energy: -51.458
where: short stacking energy: -40.594
Base-Backbone interact. energy: 0.112
local terms energy: -82.670591
where:
bonds (distance) C4'-P energy: -20.601
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -10.042
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: 1
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -111.496493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.496493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.496493 (E_RNA)
where:
Base-Base interactions energy: -33.291
where: short stacking energy: -31.587
Base-Backbone interact. energy: -0.232
local terms energy: -77.973525
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -105.953005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.953005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.953005 (E_RNA)
where:
Base-Base interactions energy: -28.682
where: short stacking energy: -28.026
Base-Backbone interact. energy: -0.324
local terms energy: -76.947345
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -9.760
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: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -315.779604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.779604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.779604 (E_RNA)
where:
Base-Base interactions energy: -192.313
where: short stacking energy: -101.570
Base-Backbone interact. energy: -0.170
local terms energy: -123.297125
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -24.996
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -33.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -306.194894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.194894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.194894 (E_RNA)
where:
Base-Base interactions energy: -188.876
where: short stacking energy: -94.572
Base-Backbone interact. energy: -1.352
local terms energy: -115.967113
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -19.771
tors. eta vs tors. theta energy: -30.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -243.749490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.749490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.749490 (E_RNA)
where:
Base-Base interactions energy: -146.536
where: short stacking energy: -87.169
Base-Backbone interact. energy: -0.048
local terms energy: -97.165538
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -279.049317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.049317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.049317 (E_RNA)
where:
Base-Base interactions energy: -169.333
where: short stacking energy: -100.578
Base-Backbone interact. energy: -0.057
local terms energy: -109.658786
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -32.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -191.854731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.854731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.854731 (E_RNA)
where:
Base-Base interactions energy: -110.736
where: short stacking energy: -69.648
Base-Backbone interact. energy: 1.771
local terms energy: -82.889589
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -14.400
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: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -184.496307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.496307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.496307 (E_RNA)
where:
Base-Base interactions energy: -102.576
where: short stacking energy: -51.463
Base-Backbone interact. energy: -0.349
local terms energy: -81.571247
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -154.277257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.277257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.277257 (E_RNA)
where:
Base-Base interactions energy: -64.768
where: short stacking energy: -57.526
Base-Backbone interact. energy: -0.207
local terms energy: -89.301753
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -23.850
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -140.503489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.503489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.503489 (E_RNA)
where:
Base-Base interactions energy: -61.909
where: short stacking energy: -43.910
Base-Backbone interact. energy: -0.302
local terms energy: -78.293116
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -118.328244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.328244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.328244 (E_RNA)
where:
Base-Base interactions energy: -48.596
where: short stacking energy: -35.139
Base-Backbone interact. energy: -0.563
local terms energy: -69.168822
where:
bonds (distance) C4'-P energy: -21.119
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: 1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -121.691849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.691849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.691849 (E_RNA)
where:
Base-Base interactions energy: -45.020
where: short stacking energy: -44.670
Base-Backbone interact. energy: 0.354
local terms energy: -77.025667
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -25.607
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -308.916881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.916881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.916881 (E_RNA)
where:
Base-Base interactions energy: -202.133
where: short stacking energy: -104.798
Base-Backbone interact. energy: 0.698
local terms energy: -107.482670
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -31.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -286.693054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.693054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.693054 (E_RNA)
where:
Base-Base interactions energy: -178.505
where: short stacking energy: -94.795
Base-Backbone interact. energy: -0.101
local terms energy: -108.087273
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -20.381
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -29.095
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: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -269.232478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.232478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.232478 (E_RNA)
where:
Base-Base interactions energy: -163.238
where: short stacking energy: -97.552
Base-Backbone interact. energy: -0.078
local terms energy: -105.916066
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -23.972
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -25.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -235.926721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.926721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.926721 (E_RNA)
where:
Base-Base interactions energy: -135.641
where: short stacking energy: -83.124
Base-Backbone interact. energy: -0.180
local terms energy: -100.106421
where:
bonds (distance) C4'-P energy: -24.509
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -17.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -196.162260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.162260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.162260 (E_RNA)
where:
Base-Base interactions energy: -111.488
where: short stacking energy: -70.053
Base-Backbone interact. energy: -0.239
local terms energy: -84.435476
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -174.959336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.959336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.959336 (E_RNA)
where:
Base-Base interactions energy: -100.501
where: short stacking energy: -57.484
Base-Backbone interact. energy: -0.133
local terms energy: -74.324939
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -5.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -134.275986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.275986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.275986 (E_RNA)
where:
Base-Base interactions energy: -56.670
where: short stacking energy: -56.670
Base-Backbone interact. energy: -0.077
local terms energy: -77.528560
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -10.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -131.477331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.477331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.477331 (E_RNA)
where:
Base-Base interactions energy: -49.880
where: short stacking energy: -46.804
Base-Backbone interact. energy: -0.006
local terms energy: -81.591349
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -22.269
flat angles P-C4'-P energy: -1.471
tors. eta vs tors. theta energy: -8.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -110.044689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.044689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.044689 (E_RNA)
where:
Base-Base interactions energy: -31.489
where: short stacking energy: -29.242
Base-Backbone interact. energy: -0.188
local terms energy: -78.366983
where:
bonds (distance) C4'-P energy: -22.716
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -14.589
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: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -110.988743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.988743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.988743 (E_RNA)
where:
Base-Base interactions energy: -35.914
where: short stacking energy: -35.914
Base-Backbone interact. energy: -0.177
local terms energy: -74.897639
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -329.183090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.183090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.183090 (E_RNA)
where:
Base-Base interactions energy: -215.583
where: short stacking energy: -114.009
Base-Backbone interact. energy: -0.421
local terms energy: -113.179462
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -32.158
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: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -278.352019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.352019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.352019 (E_RNA)
where:
Base-Base interactions energy: -177.098
where: short stacking energy: -95.136
Base-Backbone interact. energy: -0.193
local terms energy: -101.061146
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -27.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -258.491013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.491013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.491013 (E_RNA)
where:
Base-Base interactions energy: -159.529
where: short stacking energy: -84.542
Base-Backbone interact. energy: -0.038
local terms energy: -98.924438
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -21.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -242.025488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.025488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.025488 (E_RNA)
where:
Base-Base interactions energy: -135.156
where: short stacking energy: -83.091
Base-Backbone interact. energy: -0.208
local terms energy: -106.661700
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -18.931
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: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -232.495296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.495296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.495296 (E_RNA)
where:
Base-Base interactions energy: -138.551
where: short stacking energy: -76.164
Base-Backbone interact. energy: -0.089
local terms energy: -93.855087
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -177.895968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.895968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.895968 (E_RNA)
where:
Base-Base interactions energy: -97.692
where: short stacking energy: -46.462
Base-Backbone interact. energy: -0.931
local terms energy: -79.273159
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -24.376
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -9.849
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: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -139.267208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.267208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.267208 (E_RNA)
where:
Base-Base interactions energy: -64.955
where: short stacking energy: -35.434
Base-Backbone interact. energy: -0.359
local terms energy: -73.953765
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -12.959
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: 8, replica: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -118.476051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.476051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.476051 (E_RNA)
where:
Base-Base interactions energy: -40.948
where: short stacking energy: -35.609
Base-Backbone interact. energy: 0.578
local terms energy: -78.105139
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -105.240908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.240908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.240908 (E_RNA)
where:
Base-Base interactions energy: -40.628
where: short stacking energy: -40.628
Base-Backbone interact. energy: -0.276
local terms energy: -64.336608
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -103.162255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.162255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.162255 (E_RNA)
where:
Base-Base interactions energy: -38.296
where: short stacking energy: -38.296
Base-Backbone interact. energy: 2.844
local terms energy: -67.710259
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -323.007068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.007068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.007068 (E_RNA)
where:
Base-Base interactions energy: -203.047
where: short stacking energy: -111.775
Base-Backbone interact. energy: -0.455
local terms energy: -119.504999
where:
bonds (distance) C4'-P energy: -23.951
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -26.348
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -34.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -286.679477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.679477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.679477 (E_RNA)
where:
Base-Base interactions energy: -173.087
where: short stacking energy: -94.392
Base-Backbone interact. energy: -0.055
local terms energy: -113.537882
where:
bonds (distance) C4'-P energy: -24.032
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -23.479
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -26.750
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: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -255.948019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.948019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.948019 (E_RNA)
where:
Base-Base interactions energy: -156.016
where: short stacking energy: -97.526
Base-Backbone interact. energy: -0.125
local terms energy: -99.807194
where:
bonds (distance) C4'-P energy: -20.775
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -23.749
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: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -275.234893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.234893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.234893 (E_RNA)
where:
Base-Base interactions energy: -164.332
where: short stacking energy: -93.618
Base-Backbone interact. energy: -0.010
local terms energy: -110.892616
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -28.447
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: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -242.844062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.844062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.844062 (E_RNA)
where:
Base-Base interactions energy: -155.424
where: short stacking energy: -74.174
Base-Backbone interact. energy: -0.140
local terms energy: -87.280529
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -22.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -217.039437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.039437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.039437 (E_RNA)
where:
Base-Base interactions energy: -135.075
where: short stacking energy: -72.848
Base-Backbone interact. energy: -0.619
local terms energy: -81.345457
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -137.746155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.746155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.746155 (E_RNA)
where:
Base-Base interactions energy: -56.944
where: short stacking energy: -56.944
Base-Backbone interact. energy: -0.161
local terms energy: -80.640752
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -9.357
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: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -129.844430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.844430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.844430 (E_RNA)
where:
Base-Base interactions energy: -49.499
where: short stacking energy: -32.051
Base-Backbone interact. energy: 0.249
local terms energy: -80.594993
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -22.421
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -9.599
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: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -109.795863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.795863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.795863 (E_RNA)
where:
Base-Base interactions energy: -40.672
where: short stacking energy: -40.872
Base-Backbone interact. energy: 0.328
local terms energy: -69.451859
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -7.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -95.845022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.845022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.845022 (E_RNA)
where:
Base-Base interactions energy: -38.224
where: short stacking energy: -27.345
Base-Backbone interact. energy: 0.522
local terms energy: -58.143032
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: 2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -319.972864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.972864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.972864 (E_RNA)
where:
Base-Base interactions energy: -200.018
where: short stacking energy: -106.633
Base-Backbone interact. energy: 1.113
local terms energy: -121.068360
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -26.498
flat angles P-C4'-P energy: -18.046
tors. eta vs tors. theta energy: -33.831
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: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -261.930276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.930276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.930276 (E_RNA)
where:
Base-Base interactions energy: -143.773
where: short stacking energy: -86.162
Base-Backbone interact. energy: -1.682
local terms energy: -116.475434
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -23.086
flat angles C4'-P-C4' energy: -21.196
flat angles P-C4'-P energy: -20.413
tors. eta vs tors. theta energy: -27.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -284.657309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.657309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.657309 (E_RNA)
where:
Base-Base interactions energy: -171.968
where: short stacking energy: -93.042
Base-Backbone interact. energy: -0.023
local terms energy: -112.666048
where:
bonds (distance) C4'-P energy: -23.870
bonds (distance) P-C4' energy: -23.789
flat angles C4'-P-C4' energy: -25.892
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -30.817
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: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -269.144087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.144087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.144087 (E_RNA)
where:
Base-Base interactions energy: -164.598
where: short stacking energy: -89.610
Base-Backbone interact. energy: -0.089
local terms energy: -104.456197
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -24.552
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -23.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -229.750675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.750675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.750675 (E_RNA)
where:
Base-Base interactions energy: -134.833
where: short stacking energy: -77.960
Base-Backbone interact. energy: -0.410
local terms energy: -94.507959
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -24.837
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -212.925537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.925537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.925537 (E_RNA)
where:
Base-Base interactions energy: -125.807
where: short stacking energy: -69.559
Base-Backbone interact. energy: -0.014
local terms energy: -87.104863
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -123.181069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.181069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.181069 (E_RNA)
where:
Base-Base interactions energy: -49.246
where: short stacking energy: -47.767
Base-Backbone interact. energy: -0.036
local terms energy: -73.898708
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -114.429546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.429546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.429546 (E_RNA)
where:
Base-Base interactions energy: -36.365
where: short stacking energy: -35.330
Base-Backbone interact. energy: -0.330
local terms energy: -77.735088
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -13.637
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: 9, replica: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -143.436109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.436109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.436109 (E_RNA)
where:
Base-Base interactions energy: -67.328
where: short stacking energy: -48.759
Base-Backbone interact. energy: -0.443
local terms energy: -75.664363
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -7.180
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: 93
Temperature: 1.350000
Total energy: -109.624837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.624837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.624837 (E_RNA)
where:
Base-Base interactions energy: -42.604
where: short stacking energy: -29.358
Base-Backbone interact. energy: 0.580
local terms energy: -67.600613
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: 4.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -299.387204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.387204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.387204 (E_RNA)
where:
Base-Base interactions energy: -195.995
where: short stacking energy: -98.052
Base-Backbone interact. energy: -0.566
local terms energy: -102.825753
where:
bonds (distance) C4'-P energy: -23.904
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -23.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -276.978995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.978995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.978995 (E_RNA)
where:
Base-Base interactions energy: -157.739
where: short stacking energy: -98.949
Base-Backbone interact. energy: 0.494
local terms energy: -119.733812
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -24.947
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -32.229
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: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -271.451340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.451340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.451340 (E_RNA)
where:
Base-Base interactions energy: -172.772
where: short stacking energy: -96.428
Base-Backbone interact. energy: 0.042
local terms energy: -98.721412
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -26.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -282.430565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.430565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.430565 (E_RNA)
where:
Base-Base interactions energy: -169.923
where: short stacking energy: -97.442
Base-Backbone interact. energy: 0.123
local terms energy: -112.630300
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -19.624
tors. eta vs tors. theta energy: -27.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -218.730125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.730125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.730125 (E_RNA)
where:
Base-Base interactions energy: -123.620
where: short stacking energy: -69.039
Base-Backbone interact. energy: -0.231
local terms energy: -94.878578
where:
bonds (distance) C4'-P energy: -23.321
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -17.297
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: 94
Temperature: 1.150000
Total energy: -219.249113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.249113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.249113 (E_RNA)
where:
Base-Base interactions energy: -131.075
where: short stacking energy: -70.407
Base-Backbone interact. energy: 1.115
local terms energy: -89.289393
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -121.349327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.349327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.349327 (E_RNA)
where:
Base-Base interactions energy: -49.518
where: short stacking energy: -47.194
Base-Backbone interact. energy: -0.322
local terms energy: -71.508842
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -12.709
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: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -112.522080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.522080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.522080 (E_RNA)
where:
Base-Base interactions energy: -31.803
where: short stacking energy: -31.803
Base-Backbone interact. energy: -0.200
local terms energy: -80.518491
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -115.048921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.048921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.048921 (E_RNA)
where:
Base-Base interactions energy: -46.401
where: short stacking energy: -35.922
Base-Backbone interact. energy: 0.599
local terms energy: -69.246731
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -119.314719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.314719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.314719 (E_RNA)
where:
Base-Base interactions energy: -50.174
where: short stacking energy: -39.117
Base-Backbone interact. energy: -0.256
local terms energy: -68.885354
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -297.742769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.742769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.742769 (E_RNA)
where:
Base-Base interactions energy: -201.283
where: short stacking energy: -80.722
Base-Backbone interact. energy: -0.424
local terms energy: -96.034896
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -27.179
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -283.920520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.920520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.920520 (E_RNA)
where:
Base-Base interactions energy: -170.979
where: short stacking energy: -96.802
Base-Backbone interact. energy: -0.038
local terms energy: -112.903422
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -24.361
flat angles C4'-P-C4' energy: -21.070
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -29.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -253.472424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.472424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.472424 (E_RNA)
where:
Base-Base interactions energy: -149.793
where: short stacking energy: -88.518
Base-Backbone interact. energy: -0.215
local terms energy: -103.464084
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -24.842
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: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -257.965905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.965905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.965905 (E_RNA)
where:
Base-Base interactions energy: -149.968
where: short stacking energy: -85.954
Base-Backbone interact. energy: -0.185
local terms energy: -107.812768
where:
bonds (distance) C4'-P energy: -23.533
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -23.196
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -25.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -253.289440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.289440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.289440 (E_RNA)
where:
Base-Base interactions energy: -144.925
where: short stacking energy: -71.715
Base-Backbone interact. energy: -0.705
local terms energy: -107.659236
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -17.473
tors. eta vs tors. theta energy: -25.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -231.642068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.642068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.642068 (E_RNA)
where:
Base-Base interactions energy: -139.096
where: short stacking energy: -80.925
Base-Backbone interact. energy: -0.173
local terms energy: -92.372882
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -17.308
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: 95
Temperature: 1.200000
Total energy: -129.517347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.517347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.517347 (E_RNA)
where:
Base-Base interactions energy: -48.343
where: short stacking energy: -48.238
Base-Backbone interact. energy: -0.481
local terms energy: -80.694144
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -15.927
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: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -134.708376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.708376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.708376 (E_RNA)
where:
Base-Base interactions energy: -58.234
where: short stacking energy: -50.265
Base-Backbone interact. energy: -0.114
local terms energy: -76.360144
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -6.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -104.246459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.246459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.246459 (E_RNA)
where:
Base-Base interactions energy: -36.300
where: short stacking energy: -35.556
Base-Backbone interact. energy: 1.293
local terms energy: -69.239569
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: 3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -99.979336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.979336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.979336 (E_RNA)
where:
Base-Base interactions energy: -34.362
where: short stacking energy: -20.856
Base-Backbone interact. energy: -0.425
local terms energy: -65.192038
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: 1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -298.716190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.716190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.716190 (E_RNA)
where:
Base-Base interactions energy: -185.105
where: short stacking energy: -99.932
Base-Backbone interact. energy: -0.047
local terms energy: -113.564379
where:
bonds (distance) C4'-P energy: -22.207
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -23.506
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -26.394
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: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -291.589566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.589566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.589566 (E_RNA)
where:
Base-Base interactions energy: -188.654
where: short stacking energy: -75.452
Base-Backbone interact. energy: 0.898
local terms energy: -103.833798
where:
bonds (distance) C4'-P energy: -21.509
bonds (distance) P-C4' energy: -25.657
flat angles C4'-P-C4' energy: -23.711
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -16.692
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: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -259.368232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.368232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.368232 (E_RNA)
where:
Base-Base interactions energy: -163.436
where: short stacking energy: -89.415
Base-Backbone interact. energy: -0.433
local terms energy: -95.499067
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -21.549
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: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -225.178836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.178836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.178836 (E_RNA)
where:
Base-Base interactions energy: -124.675
where: short stacking energy: -72.984
Base-Backbone interact. energy: -0.232
local terms energy: -100.271671
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -22.662
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -15.246
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: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -229.008722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.008722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.008722 (E_RNA)
where:
Base-Base interactions energy: -134.179
where: short stacking energy: -61.756
Base-Backbone interact. energy: -0.177
local terms energy: -94.652391
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -20.509
flat angles P-C4'-P energy: -14.955
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: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -238.927331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.927331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.927331 (E_RNA)
where:
Base-Base interactions energy: -130.100
where: short stacking energy: -83.668
Base-Backbone interact. energy: 1.011
local terms energy: -109.838592
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -20.882
flat angles C4'-P-C4' energy: -25.078
flat angles P-C4'-P energy: -17.526
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: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -120.220803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.220803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.220803 (E_RNA)
where:
Base-Base interactions energy: -51.848
where: short stacking energy: -51.848
Base-Backbone interact. energy: -0.338
local terms energy: -68.034308
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -10.604
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: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -136.207204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.207204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.207204 (E_RNA)
where:
Base-Base interactions energy: -46.465
where: short stacking energy: -45.500
Base-Backbone interact. energy: 2.469
local terms energy: -92.211898
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -9.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -122.346656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.346656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.346656 (E_RNA)
where:
Base-Base interactions energy: -51.572
where: short stacking energy: -40.433
Base-Backbone interact. energy: 0.496
local terms energy: -71.271044
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -10.301
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: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -111.373079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.373079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.373079 (E_RNA)
where:
Base-Base interactions energy: -43.037
where: short stacking energy: -39.746
Base-Backbone interact. energy: -1.045
local terms energy: -67.291248
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -12.432
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: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -304.385504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.385504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.385504 (E_RNA)
where:
Base-Base interactions energy: -190.112
where: short stacking energy: -100.866
Base-Backbone interact. energy: -0.062
local terms energy: -114.212048
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -25.675
flat angles P-C4'-P energy: -17.728
tors. eta vs tors. theta energy: -28.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -296.772660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.772660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.772660 (E_RNA)
where:
Base-Base interactions energy: -197.701
where: short stacking energy: -87.669
Base-Backbone interact. energy: -1.435
local terms energy: -97.636631
where:
bonds (distance) C4'-P energy: -22.550
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -14.528
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: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -253.007795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.007795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.007795 (E_RNA)
where:
Base-Base interactions energy: -143.420
where: short stacking energy: -77.581
Base-Backbone interact. energy: -0.096
local terms energy: -109.492427
where:
bonds (distance) C4'-P energy: -23.598
bonds (distance) P-C4' energy: -26.490
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -15.307
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: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -247.377671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.377671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.377671 (E_RNA)
where:
Base-Base interactions energy: -149.561
where: short stacking energy: -75.967
Base-Backbone interact. energy: 0.602
local terms energy: -98.418500
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -17.357
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: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -222.950065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.950065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.950065 (E_RNA)
where:
Base-Base interactions energy: -124.699
where: short stacking energy: -60.641
Base-Backbone interact. energy: -0.021
local terms energy: -98.230347
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -24.473
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -221.641910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.641910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.641910 (E_RNA)
where:
Base-Base interactions energy: -132.403
where: short stacking energy: -78.037
Base-Backbone interact. energy: -0.090
local terms energy: -89.148251
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -121.713783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.713783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.713783 (E_RNA)
where:
Base-Base interactions energy: -52.831
where: short stacking energy: -47.806
Base-Backbone interact. energy: 0.888
local terms energy: -69.770327
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: -5.604
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: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -111.523864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.523864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.523864 (E_RNA)
where:
Base-Base interactions energy: -36.593
where: short stacking energy: -36.593
Base-Backbone interact. energy: -0.377
local terms energy: -74.553797
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -7.077
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: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -119.011222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.011222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.011222 (E_RNA)
where:
Base-Base interactions energy: -47.145
where: short stacking energy: -33.215
Base-Backbone interact. energy: 1.003
local terms energy: -72.869384
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: 0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -107.228383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.228383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.228383 (E_RNA)
where:
Base-Base interactions energy: -38.451
where: short stacking energy: -38.451
Base-Backbone interact. energy: -0.249
local terms energy: -68.527945
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -8.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -303.093945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.093945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.093945 (E_RNA)
where:
Base-Base interactions energy: -189.464
where: short stacking energy: -102.725
Base-Backbone interact. energy: -1.021
local terms energy: -112.608898
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -20.037
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -26.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -301.729269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.729269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.729269 (E_RNA)
where:
Base-Base interactions energy: -188.968
where: short stacking energy: -90.695
Base-Backbone interact. energy: -0.209
local terms energy: -112.552274
where:
bonds (distance) C4'-P energy: -24.000
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -25.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -281.706543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.706543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.706543 (E_RNA)
where:
Base-Base interactions energy: -168.759
where: short stacking energy: -95.046
Base-Backbone interact. energy: -0.073
local terms energy: -112.874887
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -24.418
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -32.093
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: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -253.822506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.822506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.822506 (E_RNA)
where:
Base-Base interactions energy: -148.529
where: short stacking energy: -95.280
Base-Backbone interact. energy: -0.116
local terms energy: -105.176891
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -26.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -251.758939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.758939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.758939 (E_RNA)
where:
Base-Base interactions energy: -144.193
where: short stacking energy: -87.120
Base-Backbone interact. energy: 0.189
local terms energy: -107.755080
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -26.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -194.004131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.004131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.004131 (E_RNA)
where:
Base-Base interactions energy: -111.823
where: short stacking energy: -61.046
Base-Backbone interact. energy: -0.398
local terms energy: -81.782814
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -21.517
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -11.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -128.343251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.343251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.343251 (E_RNA)
where:
Base-Base interactions energy: -64.274
where: short stacking energy: -51.239
Base-Backbone interact. energy: -0.890
local terms energy: -63.178391
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -10.675
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: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -110.660164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.660164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.660164 (E_RNA)
where:
Base-Base interactions energy: -39.896
where: short stacking energy: -37.184
Base-Backbone interact. energy: -0.163
local terms energy: -70.601323
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -3.910
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: 5
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -125.268608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.268608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.268608 (E_RNA)
where:
Base-Base interactions energy: -60.080
where: short stacking energy: -33.725
Base-Backbone interact. energy: -0.362
local terms energy: -64.827065
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -97.074364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.074364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.074364 (E_RNA)
where:
Base-Base interactions energy: -33.926
where: short stacking energy: -23.307
Base-Backbone interact. energy: -0.319
local terms energy: -62.829169
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: 5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -300.719814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.719814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.719814 (E_RNA)
where:
Base-Base interactions energy: -184.727
where: short stacking energy: -103.401
Base-Backbone interact. energy: -0.032
local terms energy: -115.960824
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -25.135
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -33.191
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: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -293.325346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.325346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.325346 (E_RNA)
where:
Base-Base interactions energy: -183.213
where: short stacking energy: -102.697
Base-Backbone interact. energy: -0.147
local terms energy: -109.965086
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -22.048
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -31.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -296.852938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.852938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.852938 (E_RNA)
where:
Base-Base interactions energy: -190.794
where: short stacking energy: -101.525
Base-Backbone interact. energy: -0.424
local terms energy: -105.634284
where:
bonds (distance) C4'-P energy: -21.597
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -31.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -249.723397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.723397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.723397 (E_RNA)
where:
Base-Base interactions energy: -143.581
where: short stacking energy: -83.186
Base-Backbone interact. energy: -0.139
local terms energy: -106.003647
where:
bonds (distance) C4'-P energy: -25.809
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -26.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -237.529787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.529787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.529787 (E_RNA)
where:
Base-Base interactions energy: -146.970
where: short stacking energy: -86.357
Base-Backbone interact. energy: -0.213
local terms energy: -90.346675
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -19.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -209.267413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.267413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.267413 (E_RNA)
where:
Base-Base interactions energy: -131.740
where: short stacking energy: -79.892
Base-Backbone interact. energy: -0.576
local terms energy: -76.951336
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -4.299
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -133.080957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.080957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.080957 (E_RNA)
where:
Base-Base interactions energy: -48.784
where: short stacking energy: -48.784
Base-Backbone interact. energy: -0.073
local terms energy: -84.224531
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -26.595
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -130.607124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.607124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.607124 (E_RNA)
where:
Base-Base interactions energy: -55.035
where: short stacking energy: -41.128
Base-Backbone interact. energy: -1.259
local terms energy: -74.312899
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -9.862
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: 9, replica: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -101.921948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.921948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.921948 (E_RNA)
where:
Base-Base interactions energy: -39.999
where: short stacking energy: -38.674
Base-Backbone interact. energy: -1.391
local terms energy: -60.532464
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -121.595418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.595418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.595418 (E_RNA)
where:
Base-Base interactions energy: -49.507
where: short stacking energy: -46.161
Base-Backbone interact. energy: 1.896
local terms energy: -73.984727
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -11.768
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: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -298.655127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.655127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.655127 (E_RNA)
where:
Base-Base interactions energy: -180.603
where: short stacking energy: -106.673
Base-Backbone interact. energy: -0.007
local terms energy: -118.044964
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -22.587
flat angles C4'-P-C4' energy: -25.015
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -34.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -296.489529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.489529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.489529 (E_RNA)
where:
Base-Base interactions energy: -187.721
where: short stacking energy: -107.622
Base-Backbone interact. energy: -0.052
local terms energy: -108.716351
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -31.317
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: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -251.224767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.224767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.224767 (E_RNA)
where:
Base-Base interactions energy: -141.825
where: short stacking energy: -95.858
Base-Backbone interact. energy: -0.338
local terms energy: -109.061567
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -23.706
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -27.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -276.933489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.933489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.933489 (E_RNA)
where:
Base-Base interactions energy: -173.700
where: short stacking energy: -94.548
Base-Backbone interact. energy: -0.440
local terms energy: -102.792983
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -17.279
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: 5, replica: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -246.347160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.347160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.347160 (E_RNA)
where:
Base-Base interactions energy: -149.530
where: short stacking energy: -80.730
Base-Backbone interact. energy: -0.002
local terms energy: -96.815126
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -28.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -218.238121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.238121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.238121 (E_RNA)
where:
Base-Base interactions energy: -130.693
where: short stacking energy: -61.721
Base-Backbone interact. energy: 1.933
local terms energy: -89.478102
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -21.120
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -16.718
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: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -128.642385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.642385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.642385 (E_RNA)
where:
Base-Base interactions energy: -48.059
where: short stacking energy: -48.059
Base-Backbone interact. energy: -0.301
local terms energy: -80.282268
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -23.804
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -8.035
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: 100
Temperature: 1.250000
Total energy: -142.696754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.696754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.696754 (E_RNA)
where:
Base-Base interactions energy: -61.172
where: short stacking energy: -50.136
Base-Backbone interact. energy: 2.158
local terms energy: -83.682103
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -23.813
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -9.205
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: 3
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -118.175061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.175061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.175061 (E_RNA)
where:
Base-Base interactions energy: -44.245
where: short stacking energy: -44.245
Base-Backbone interact. energy: 1.768
local terms energy: -75.698608
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -7.066
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: 100
Temperature: 1.350000
Total energy: -100.734928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.734928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.734928 (E_RNA)
where:
Base-Base interactions energy: -31.008
where: short stacking energy: -27.618
Base-Backbone interact. energy: -0.274
local terms energy: -69.452139
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -13.419
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: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -293.173086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.173086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.173086 (E_RNA)
where:
Base-Base interactions energy: -176.500
where: short stacking energy: -100.825
Base-Backbone interact. energy: -0.059
local terms energy: -116.613920
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -30.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -274.601666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.601666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.601666 (E_RNA)
where:
Base-Base interactions energy: -159.328
where: short stacking energy: -103.728
Base-Backbone interact. energy: -0.187
local terms energy: -115.086607
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -24.196
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -31.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -275.636821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.636821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.636821 (E_RNA)
where:
Base-Base interactions energy: -173.743
where: short stacking energy: -98.801
Base-Backbone interact. energy: -0.046
local terms energy: -101.847487
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -25.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -269.728876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.728876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.728876 (E_RNA)
where:
Base-Base interactions energy: -169.879
where: short stacking energy: -89.886
Base-Backbone interact. energy: -0.239
local terms energy: -99.610540
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -22.809
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -23.694
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: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -245.807732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.807732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.807732 (E_RNA)
where:
Base-Base interactions energy: -149.890
where: short stacking energy: -90.104
Base-Backbone interact. energy: 0.835
local terms energy: -96.752663
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -9.391
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: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -228.695238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.695238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.695238 (E_RNA)
where:
Base-Base interactions energy: -145.939
where: short stacking energy: -74.732
Base-Backbone interact. energy: -0.319
local terms energy: -82.437066
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -127.472906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.472906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.472906 (E_RNA)
where:
Base-Base interactions energy: -50.326
where: short stacking energy: -43.831
Base-Backbone interact. energy: -0.222
local terms energy: -76.924025
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -7.545
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: 101
Temperature: 1.250000
Total energy: -127.585566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.585566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.585566 (E_RNA)
where:
Base-Base interactions energy: -59.318
where: short stacking energy: -54.726
Base-Backbone interact. energy: -0.056
local terms energy: -68.212140
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -11.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -122.982920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.982920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.982920 (E_RNA)
where:
Base-Base interactions energy: -48.193
where: short stacking energy: -39.585
Base-Backbone interact. energy: -0.501
local terms energy: -74.288642
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -20.033
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: -4.032
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: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -110.064959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.064959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.064959 (E_RNA)
where:
Base-Base interactions energy: -46.847
where: short stacking energy: -35.948
Base-Backbone interact. energy: -0.461
local terms energy: -62.757455
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -285.412019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.412019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.412019 (E_RNA)
where:
Base-Base interactions energy: -169.581
where: short stacking energy: -95.590
Base-Backbone interact. energy: -0.669
local terms energy: -115.161895
where:
bonds (distance) C4'-P energy: -25.619
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -20.764
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: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -276.134468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.134468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.134468 (E_RNA)
where:
Base-Base interactions energy: -163.372
where: short stacking energy: -109.845
Base-Backbone interact. energy: -0.356
local terms energy: -112.406278
where:
bonds (distance) C4'-P energy: -21.168
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -31.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -280.049993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.049993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.049993 (E_RNA)
where:
Base-Base interactions energy: -172.153
where: short stacking energy: -93.383
Base-Backbone interact. energy: -0.241
local terms energy: -107.655523
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -22.297
flat angles P-C4'-P energy: -19.062
tors. eta vs tors. theta energy: -25.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -247.758025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.758025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.758025 (E_RNA)
where:
Base-Base interactions energy: -149.380
where: short stacking energy: -76.362
Base-Backbone interact. energy: -0.385
local terms energy: -97.992755
where:
bonds (distance) C4'-P energy: -23.437
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -23.023
flat angles P-C4'-P energy: -16.461
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -242.023476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.023476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.023476 (E_RNA)
where:
Base-Base interactions energy: -142.416
where: short stacking energy: -75.042
Base-Backbone interact. energy: -0.421
local terms energy: -99.186633
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -216.746229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.746229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.746229 (E_RNA)
where:
Base-Base interactions energy: -126.338
where: short stacking energy: -73.045
Base-Backbone interact. energy: -0.137
local terms energy: -90.271351
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -159.193960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.193960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.193960 (E_RNA)
where:
Base-Base interactions energy: -68.231
where: short stacking energy: -58.466
Base-Backbone interact. energy: 1.465
local terms energy: -92.428145
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -113.266453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.266453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.266453 (E_RNA)
where:
Base-Base interactions energy: -43.094
where: short stacking energy: -43.094
Base-Backbone interact. energy: -0.301
local terms energy: -69.870614
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: 1.057
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: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -101.854252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.854252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.854252 (E_RNA)
where:
Base-Base interactions energy: -30.398
where: short stacking energy: -30.398
Base-Backbone interact. energy: -0.191
local terms energy: -71.265269
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -4.560
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: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -116.731962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.731962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.731962 (E_RNA)
where:
Base-Base interactions energy: -52.908
where: short stacking energy: -31.912
Base-Backbone interact. energy: 0.818
local terms energy: -64.642351
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -19.955
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: 0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -300.369720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.369720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.369720 (E_RNA)
where:
Base-Base interactions energy: -179.546
where: short stacking energy: -107.860
Base-Backbone interact. energy: -0.355
local terms energy: -120.468532
where:
bonds (distance) C4'-P energy: -24.380
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -26.291
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -34.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -285.803786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.803786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.803786 (E_RNA)
where:
Base-Base interactions energy: -181.591
where: short stacking energy: -90.564
Base-Backbone interact. energy: -0.990
local terms energy: -103.222896
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -24.930
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -25.341
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: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -274.988238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.988238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.988238 (E_RNA)
where:
Base-Base interactions energy: -162.458
where: short stacking energy: -97.662
Base-Backbone interact. energy: -0.171
local terms energy: -112.359761
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -23.601
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -29.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -249.910251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.910251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.910251 (E_RNA)
where:
Base-Base interactions energy: -145.264
where: short stacking energy: -84.099
Base-Backbone interact. energy: -0.014
local terms energy: -104.632189
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -25.482
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: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -223.810720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.810720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.810720 (E_RNA)
where:
Base-Base interactions energy: -148.032
where: short stacking energy: -75.135
Base-Backbone interact. energy: -0.399
local terms energy: -75.379701
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -13.685
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: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -211.644398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.644398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.644398 (E_RNA)
where:
Base-Base interactions energy: -123.498
where: short stacking energy: -61.865
Base-Backbone interact. energy: -0.232
local terms energy: -87.914729
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -14.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -182.283790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.283790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.283790 (E_RNA)
where:
Base-Base interactions energy: -97.664
where: short stacking energy: -50.571
Base-Backbone interact. energy: -0.094
local terms energy: -84.525539
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -15.530
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: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -130.234738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.234738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.234738 (E_RNA)
where:
Base-Base interactions energy: -43.658
where: short stacking energy: -43.658
Base-Backbone interact. energy: -0.146
local terms energy: -86.430493
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -11.750
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: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -106.860367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.860367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.860367 (E_RNA)
where:
Base-Base interactions energy: -38.458
where: short stacking energy: -32.337
Base-Backbone interact. energy: 1.952
local terms energy: -70.353519
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -96.654885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.654885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.654885 (E_RNA)
where:
Base-Base interactions energy: -31.858
where: short stacking energy: -31.858
Base-Backbone interact. energy: 1.852
local terms energy: -66.648349
where:
bonds (distance) C4'-P energy: -21.934
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: 3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -308.038131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.038131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.038131 (E_RNA)
where:
Base-Base interactions energy: -194.966
where: short stacking energy: -101.526
Base-Backbone interact. energy: -0.857
local terms energy: -112.215375
where:
bonds (distance) C4'-P energy: -24.786
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -25.157
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: 8
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -291.897095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.897095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.897095 (E_RNA)
where:
Base-Base interactions energy: -187.663
where: short stacking energy: -103.550
Base-Backbone interact. energy: -0.668
local terms energy: -103.566410
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -26.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -278.974762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.974762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.974762 (E_RNA)
where:
Base-Base interactions energy: -161.991
where: short stacking energy: -92.737
Base-Backbone interact. energy: -0.099
local terms energy: -116.884853
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -30.665
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: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -243.301402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.301402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.301402 (E_RNA)
where:
Base-Base interactions energy: -144.199
where: short stacking energy: -80.257
Base-Backbone interact. energy: -0.208
local terms energy: -98.894273
where:
bonds (distance) C4'-P energy: -20.487
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -236.073527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.073527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.073527 (E_RNA)
where:
Base-Base interactions energy: -143.443
where: short stacking energy: -74.302
Base-Backbone interact. energy: -0.149
local terms energy: -92.481111
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -15.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -210.593269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.593269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.593269 (E_RNA)
where:
Base-Base interactions energy: -124.787
where: short stacking energy: -57.758
Base-Backbone interact. energy: -0.596
local terms energy: -85.210225
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -20.024
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -13.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -165.542545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.542545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.542545 (E_RNA)
where:
Base-Base interactions energy: -92.173
where: short stacking energy: -50.263
Base-Backbone interact. energy: -0.009
local terms energy: -73.360810
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -124.194807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.194807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.194807 (E_RNA)
where:
Base-Base interactions energy: -53.563
where: short stacking energy: -45.591
Base-Backbone interact. energy: 3.108
local terms energy: -73.740190
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -100.822225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.822225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.822225 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -37.923
Base-Backbone interact. energy: -0.386
local terms energy: -63.331289
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -134.879684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.879684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.879684 (E_RNA)
where:
Base-Base interactions energy: -71.723
where: short stacking energy: -40.784
Base-Backbone interact. energy: -0.300
local terms energy: -62.856808
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -311.972349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.972349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.972349 (E_RNA)
where:
Base-Base interactions energy: -199.531
where: short stacking energy: -109.409
Base-Backbone interact. energy: -0.175
local terms energy: -112.266227
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -28.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -296.203615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.203615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.203615 (E_RNA)
where:
Base-Base interactions energy: -183.606
where: short stacking energy: -113.369
Base-Backbone interact. energy: -2.420
local terms energy: -110.177586
where:
bonds (distance) C4'-P energy: -18.899
bonds (distance) P-C4' energy: -24.438
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -30.244
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: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -262.409960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.409960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.409960 (E_RNA)
where:
Base-Base interactions energy: -151.958
where: short stacking energy: -90.627
Base-Backbone interact. energy: -0.154
local terms energy: -110.297894
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -24.908
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -25.784
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: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -262.438613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.438613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.438613 (E_RNA)
where:
Base-Base interactions energy: -166.962
where: short stacking energy: -86.326
Base-Backbone interact. energy: -0.065
local terms energy: -95.412073
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -22.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -235.811008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.811008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.811008 (E_RNA)
where:
Base-Base interactions energy: -146.732
where: short stacking energy: -85.807
Base-Backbone interact. energy: -0.011
local terms energy: -89.067949
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -172.462332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.462332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.462332 (E_RNA)
where:
Base-Base interactions energy: -96.429
where: short stacking energy: -64.097
Base-Backbone interact. energy: -0.257
local terms energy: -75.776439
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -12.263
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: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -203.867200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.867200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.867200 (E_RNA)
where:
Base-Base interactions energy: -111.910
where: short stacking energy: -59.463
Base-Backbone interact. energy: -0.384
local terms energy: -91.572874
where:
bonds (distance) C4'-P energy: -20.435
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -14.708
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: 8, replica: 3
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -124.925442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.925442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.925442 (E_RNA)
where:
Base-Base interactions energy: -53.194
where: short stacking energy: -41.010
Base-Backbone interact. energy: 0.346
local terms energy: -72.077027
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -5.633
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: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -111.309039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.309039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.309039 (E_RNA)
where:
Base-Base interactions energy: -41.599
where: short stacking energy: -34.165
Base-Backbone interact. energy: -0.389
local terms energy: -69.321009
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -1.745
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: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -123.187008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.187008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.187008 (E_RNA)
where:
Base-Base interactions energy: -58.935
where: short stacking energy: -21.896
Base-Backbone interact. energy: -0.897
local terms energy: -63.354595
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: 3.201
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: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -312.866468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.866468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.866468 (E_RNA)
where:
Base-Base interactions energy: -193.558
where: short stacking energy: -99.278
Base-Backbone interact. energy: -0.541
local terms energy: -118.767392
where:
bonds (distance) C4'-P energy: -24.340
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -25.628
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -26.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -281.506136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.506136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.506136 (E_RNA)
where:
Base-Base interactions energy: -173.704
where: short stacking energy: -94.240
Base-Backbone interact. energy: 0.768
local terms energy: -108.570223
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -24.018
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -24.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -255.332234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.332234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.332234 (E_RNA)
where:
Base-Base interactions energy: -146.675
where: short stacking energy: -90.642
Base-Backbone interact. energy: -0.306
local terms energy: -108.350620
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -26.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -270.818465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.818465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.818465 (E_RNA)
where:
Base-Base interactions energy: -157.248
where: short stacking energy: -98.151
Base-Backbone interact. energy: -0.003
local terms energy: -113.567722
where:
bonds (distance) C4'-P energy: -23.661
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -24.517
flat angles P-C4'-P energy: -20.398
tors. eta vs tors. theta energy: -26.702
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: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -223.226274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.226274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.226274 (E_RNA)
where:
Base-Base interactions energy: -152.115
where: short stacking energy: -66.283
Base-Backbone interact. energy: -0.348
local terms energy: -70.763785
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -207.601450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.601450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.601450 (E_RNA)
where:
Base-Base interactions energy: -125.494
where: short stacking energy: -80.805
Base-Backbone interact. energy: 0.008
local terms energy: -82.114704
where:
bonds (distance) C4'-P energy: -21.582
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -217.580868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.580868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.580868 (E_RNA)
where:
Base-Base interactions energy: -134.651
where: short stacking energy: -73.468
Base-Backbone interact. energy: -0.266
local terms energy: -82.664153
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -11.404
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: 8, replica: 3
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -115.292079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.292079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.292079 (E_RNA)
where:
Base-Base interactions energy: -48.362
where: short stacking energy: -36.493
Base-Backbone interact. energy: -0.203
local terms energy: -66.727606
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -6.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -110.088676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.088676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.088676 (E_RNA)
where:
Base-Base interactions energy: -33.509
where: short stacking energy: -32.721
Base-Backbone interact. energy: -0.283
local terms energy: -76.296474
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -10.855
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: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -104.922746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.922746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.922746 (E_RNA)
where:
Base-Base interactions energy: -38.913
where: short stacking energy: -38.913
Base-Backbone interact. energy: -0.080
local terms energy: -65.929769
where:
bonds (distance) C4'-P energy: -21.540
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -299.836328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.836328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.836328 (E_RNA)
where:
Base-Base interactions energy: -189.810
where: short stacking energy: -96.674
Base-Backbone interact. energy: -1.195
local terms energy: -108.830791
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -25.415
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: 107
Temperature: 0.950000
Total energy: -306.896198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.896198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.896198 (E_RNA)
where:
Base-Base interactions energy: -194.946
where: short stacking energy: -115.332
Base-Backbone interact. energy: -0.003
local terms energy: -111.947143
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -32.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -253.865592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.865592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.865592 (E_RNA)
where:
Base-Base interactions energy: -144.374
where: short stacking energy: -82.533
Base-Backbone interact. energy: -0.178
local terms energy: -109.313566
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -23.578
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -21.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -268.051236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.051236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.051236 (E_RNA)
where:
Base-Base interactions energy: -162.874
where: short stacking energy: -96.297
Base-Backbone interact. energy: -0.150
local terms energy: -105.026883
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -20.807
tors. eta vs tors. theta energy: -23.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -246.248007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.248007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.248007 (E_RNA)
where:
Base-Base interactions energy: -147.576
where: short stacking energy: -81.164
Base-Backbone interact. energy: -0.017
local terms energy: -98.654955
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -16.471
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: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -266.651774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.651774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.651774 (E_RNA)
where:
Base-Base interactions energy: -162.611
where: short stacking energy: -83.854
Base-Backbone interact. energy: -0.268
local terms energy: -103.771962
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -25.364
flat angles P-C4'-P energy: -17.008
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: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -178.796302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.796302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.796302 (E_RNA)
where:
Base-Base interactions energy: -110.610
where: short stacking energy: -53.766
Base-Backbone interact. energy: -0.178
local terms energy: -68.008895
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -6.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -143.283594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.283594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.283594 (E_RNA)
where:
Base-Base interactions energy: -78.630
where: short stacking energy: -48.005
Base-Backbone interact. energy: 1.322
local terms energy: -65.975827
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -108.483688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.483688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.483688 (E_RNA)
where:
Base-Base interactions energy: -40.984
where: short stacking energy: -40.984
Base-Backbone interact. energy: 1.296
local terms energy: -68.795670
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -0.856
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: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -104.493938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.493938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.493938 (E_RNA)
where:
Base-Base interactions energy: -37.026
where: short stacking energy: -34.209
Base-Backbone interact. energy: 0.804
local terms energy: -68.272016
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -295.669976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.669976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.669976 (E_RNA)
where:
Base-Base interactions energy: -179.409
where: short stacking energy: -99.294
Base-Backbone interact. energy: -0.696
local terms energy: -115.565219
where:
bonds (distance) C4'-P energy: -25.212
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -30.505
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: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -289.489525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.489525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.489525 (E_RNA)
where:
Base-Base interactions energy: -177.589
where: short stacking energy: -91.442
Base-Backbone interact. energy: -0.882
local terms energy: -111.018675
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -27.034
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -27.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -272.046045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.046045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.046045 (E_RNA)
where:
Base-Base interactions energy: -160.902
where: short stacking energy: -88.997
Base-Backbone interact. energy: -0.145
local terms energy: -110.998661
where:
bonds (distance) C4'-P energy: -23.208
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -23.377
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: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -252.814295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.814295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.814295 (E_RNA)
where:
Base-Base interactions energy: -151.604
where: short stacking energy: -83.206
Base-Backbone interact. energy: -0.107
local terms energy: -101.102650
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -24.144
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -24.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -268.686766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.686766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.686766 (E_RNA)
where:
Base-Base interactions energy: -167.136
where: short stacking energy: -90.014
Base-Backbone interact. energy: -0.189
local terms energy: -101.361945
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -21.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -213.702151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.702151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.702151 (E_RNA)
where:
Base-Base interactions energy: -135.363
where: short stacking energy: -75.753
Base-Backbone interact. energy: -0.260
local terms energy: -78.079218
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -21.034
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: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -174.450315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.450315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.450315 (E_RNA)
where:
Base-Base interactions energy: -102.976
where: short stacking energy: -59.467
Base-Backbone interact. energy: -1.091
local terms energy: -70.383382
where:
bonds (distance) C4'-P energy: -19.413
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -11.592
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: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -113.950600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.950600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.950600 (E_RNA)
where:
Base-Base interactions energy: -46.933
where: short stacking energy: -42.253
Base-Backbone interact. energy: -0.532
local terms energy: -66.485581
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -113.374092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.374092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.374092 (E_RNA)
where:
Base-Base interactions energy: -41.548
where: short stacking energy: -41.548
Base-Backbone interact. energy: 1.299
local terms energy: -73.125244
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -24.233
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -12.107
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: 3
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -109.211852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.211852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.211852 (E_RNA)
where:
Base-Base interactions energy: -38.445
where: short stacking energy: -38.445
Base-Backbone interact. energy: -0.622
local terms energy: -70.144123
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -305.696309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.696309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.696309 (E_RNA)
where:
Base-Base interactions energy: -187.533
where: short stacking energy: -106.014
Base-Backbone interact. energy: -0.175
local terms energy: -117.988332
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -35.120
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: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -290.272625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.272625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.272625 (E_RNA)
where:
Base-Base interactions energy: -187.954
where: short stacking energy: -93.137
Base-Backbone interact. energy: -0.108
local terms energy: -102.210444
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -25.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -264.816637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.816637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.816637 (E_RNA)
where:
Base-Base interactions energy: -163.882
where: short stacking energy: -86.324
Base-Backbone interact. energy: -0.222
local terms energy: -100.712900
where:
bonds (distance) C4'-P energy: -22.444
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -19.428
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: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -249.255459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.255459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.255459 (E_RNA)
where:
Base-Base interactions energy: -150.617
where: short stacking energy: -75.846
Base-Backbone interact. energy: -0.167
local terms energy: -98.471361
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -248.101640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.101640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.101640 (E_RNA)
where:
Base-Base interactions energy: -146.264
where: short stacking energy: -85.193
Base-Backbone interact. energy: -2.689
local terms energy: -99.148382
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -26.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -216.002024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.002024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.002024 (E_RNA)
where:
Base-Base interactions energy: -128.332
where: short stacking energy: -63.647
Base-Backbone interact. energy: 0.409
local terms energy: -88.078660
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -14.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -173.514910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.514910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.514910 (E_RNA)
where:
Base-Base interactions energy: -95.662
where: short stacking energy: -57.402
Base-Backbone interact. energy: -0.265
local terms energy: -77.587923
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -11.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -127.496399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.496399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.496399 (E_RNA)
where:
Base-Base interactions energy: -64.255
where: short stacking energy: -51.273
Base-Backbone interact. energy: -0.240
local terms energy: -63.001474
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -115.394137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.394137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.394137 (E_RNA)
where:
Base-Base interactions energy: -44.906
where: short stacking energy: -44.906
Base-Backbone interact. energy: 1.524
local terms energy: -72.011830
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -14.159
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: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -113.113194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.113194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.113194 (E_RNA)
where:
Base-Base interactions energy: -41.201
where: short stacking energy: -28.984
Base-Backbone interact. energy: -1.428
local terms energy: -70.485036
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -23.738
flat angles C4'-P-C4' energy: -21.985
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -2.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -301.921590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.921590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.921590 (E_RNA)
where:
Base-Base interactions energy: -187.508
where: short stacking energy: -90.798
Base-Backbone interact. energy: -0.529
local terms energy: -113.884493
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -25.588
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -25.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -309.441731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.441731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.441731 (E_RNA)
where:
Base-Base interactions energy: -190.909
where: short stacking energy: -107.038
Base-Backbone interact. energy: -0.022
local terms energy: -118.510441
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -34.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -260.842761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.842761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.842761 (E_RNA)
where:
Base-Base interactions energy: -157.972
where: short stacking energy: -94.644
Base-Backbone interact. energy: -0.012
local terms energy: -102.858983
where:
bonds (distance) C4'-P energy: -20.456
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -26.138
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: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -253.001967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.001967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.001967 (E_RNA)
where:
Base-Base interactions energy: -160.354
where: short stacking energy: -73.833
Base-Backbone interact. energy: -0.010
local terms energy: -92.638177
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -24.107
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -21.042
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: 5, replica: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -224.413850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.413850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.413850 (E_RNA)
where:
Base-Base interactions energy: -130.281
where: short stacking energy: -69.612
Base-Backbone interact. energy: 0.070
local terms energy: -94.203086
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -217.793143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.793143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.793143 (E_RNA)
where:
Base-Base interactions energy: -132.202
where: short stacking energy: -58.967
Base-Backbone interact. energy: -1.030
local terms energy: -84.561585
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -11.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -129.422285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.422285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.422285 (E_RNA)
where:
Base-Base interactions energy: -60.322
where: short stacking energy: -39.962
Base-Backbone interact. energy: -0.383
local terms energy: -68.717015
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -133.775987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.775987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.775987 (E_RNA)
where:
Base-Base interactions energy: -54.233
where: short stacking energy: -46.640
Base-Backbone interact. energy: -0.150
local terms energy: -79.392386
where:
bonds (distance) C4'-P energy: -22.203
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -10.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -127.449984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.449984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.449984 (E_RNA)
where:
Base-Base interactions energy: -51.346
where: short stacking energy: -36.873
Base-Backbone interact. energy: 1.901
local terms energy: -78.005344
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -11.413
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: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -109.748896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.748896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.748896 (E_RNA)
where:
Base-Base interactions energy: -40.436
where: short stacking energy: -24.829
Base-Backbone interact. energy: -0.290
local terms energy: -69.022983
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -1.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -299.199014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.199014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.199014 (E_RNA)
where:
Base-Base interactions energy: -187.044
where: short stacking energy: -96.576
Base-Backbone interact. energy: -0.108
local terms energy: -112.046743
where:
bonds (distance) C4'-P energy: -24.963
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -24.698
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -25.971
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: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -304.349347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.349347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.349347 (E_RNA)
where:
Base-Base interactions energy: -195.681
where: short stacking energy: -109.778
Base-Backbone interact. energy: 0.602
local terms energy: -109.270164
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -29.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -254.037609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.037609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.037609 (E_RNA)
where:
Base-Base interactions energy: -154.488
where: short stacking energy: -92.109
Base-Backbone interact. energy: -0.007
local terms energy: -99.542554
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -26.047
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: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -251.832880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.832880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.832880 (E_RNA)
where:
Base-Base interactions energy: -156.188
where: short stacking energy: -71.262
Base-Backbone interact. energy: -0.818
local terms energy: -94.827162
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -15.486
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: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -235.270179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.270179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.270179 (E_RNA)
where:
Base-Base interactions energy: -145.254
where: short stacking energy: -77.880
Base-Backbone interact. energy: 0.409
local terms energy: -90.425805
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -25.026
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -219.441096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.441096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.441096 (E_RNA)
where:
Base-Base interactions energy: -126.931
where: short stacking energy: -66.223
Base-Backbone interact. energy: -0.393
local terms energy: -92.117941
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -26.683
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -14.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -130.322580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.322580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.322580 (E_RNA)
where:
Base-Base interactions energy: -46.526
where: short stacking energy: -44.366
Base-Backbone interact. energy: -0.498
local terms energy: -83.298881
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -24.635
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -9.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -117.736225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.736225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.736225 (E_RNA)
where:
Base-Base interactions energy: -39.061
where: short stacking energy: -39.061
Base-Backbone interact. energy: 1.321
local terms energy: -79.996358
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -116.685108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.685108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.685108 (E_RNA)
where:
Base-Base interactions energy: -47.851
where: short stacking energy: -41.313
Base-Backbone interact. energy: -0.174
local terms energy: -68.660476
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -8.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -105.635432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.635432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.635432 (E_RNA)
where:
Base-Base interactions energy: -38.412
where: short stacking energy: -38.412
Base-Backbone interact. energy: -0.373
local terms energy: -66.850339
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -11.072
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: 8
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -307.670654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.670654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.670654 (E_RNA)
where:
Base-Base interactions energy: -193.876
where: short stacking energy: -112.106
Base-Backbone interact. energy: -0.027
local terms energy: -113.767720
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -32.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -295.997500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.997500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.997500 (E_RNA)
where:
Base-Base interactions energy: -191.560
where: short stacking energy: -94.592
Base-Backbone interact. energy: 0.208
local terms energy: -104.645477
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -26.157
flat angles C4'-P-C4' energy: -21.675
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -25.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -260.818838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.818838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.818838 (E_RNA)
where:
Base-Base interactions energy: -151.999
where: short stacking energy: -78.787
Base-Backbone interact. energy: -0.288
local terms energy: -108.531648
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -19.552
tors. eta vs tors. theta energy: -22.561
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: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -257.522356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.522356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.522356 (E_RNA)
where:
Base-Base interactions energy: -151.816
where: short stacking energy: -99.613
Base-Backbone interact. energy: -0.690
local terms energy: -105.016621
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -26.186
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: 7
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -232.826276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.826276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.826276 (E_RNA)
where:
Base-Base interactions energy: -138.021
where: short stacking energy: -82.396
Base-Backbone interact. energy: -0.194
local terms energy: -94.611377
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -16.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -224.535721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.535721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.535721 (E_RNA)
where:
Base-Base interactions energy: -131.604
where: short stacking energy: -69.126
Base-Backbone interact. energy: -0.662
local terms energy: -92.269588
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -124.782089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.782089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.782089 (E_RNA)
where:
Base-Base interactions energy: -37.480
where: short stacking energy: -34.301
Base-Backbone interact. energy: -0.308
local terms energy: -86.993874
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -14.966
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: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -125.651640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.651640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.651640 (E_RNA)
where:
Base-Base interactions energy: -42.424
where: short stacking energy: -42.424
Base-Backbone interact. energy: -0.282
local terms energy: -82.946250
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -14.377
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: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -120.788700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.788700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.788700 (E_RNA)
where:
Base-Base interactions energy: -44.100
where: short stacking energy: -30.891
Base-Backbone interact. energy: -0.044
local terms energy: -76.644822
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -6.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -122.343664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.343664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.343664 (E_RNA)
where:
Base-Base interactions energy: -52.866
where: short stacking energy: -39.112
Base-Backbone interact. energy: -0.225
local terms energy: -69.253277
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -316.173118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.173118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.173118 (E_RNA)
where:
Base-Base interactions energy: -189.988
where: short stacking energy: -121.474
Base-Backbone interact. energy: -0.584
local terms energy: -125.601917
where:
bonds (distance) C4'-P energy: -23.425
bonds (distance) P-C4' energy: -24.703
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -20.048
tors. eta vs tors. theta energy: -33.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -292.830694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.830694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.830694 (E_RNA)
where:
Base-Base interactions energy: -185.754
where: short stacking energy: -93.292
Base-Backbone interact. energy: -1.259
local terms energy: -105.817708
where:
bonds (distance) C4'-P energy: -20.382
bonds (distance) P-C4' energy: -19.870
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -24.479
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: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -283.921447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.921447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.921447 (E_RNA)
where:
Base-Base interactions energy: -172.287
where: short stacking energy: -95.098
Base-Backbone interact. energy: 0.356
local terms energy: -111.990699
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -26.125
flat angles C4'-P-C4' energy: -24.934
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -25.290
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: 113
Temperature: 1.050000
Total energy: -241.248624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.248624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.248624 (E_RNA)
where:
Base-Base interactions energy: -137.012
where: short stacking energy: -81.336
Base-Backbone interact. energy: -0.469
local terms energy: -103.767865
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -22.705
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -224.793881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.793881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.793881 (E_RNA)
where:
Base-Base interactions energy: -127.763
where: short stacking energy: -69.841
Base-Backbone interact. energy: -0.165
local terms energy: -96.865533
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -17.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -229.077594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.077594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.077594 (E_RNA)
where:
Base-Base interactions energy: -132.935
where: short stacking energy: -81.203
Base-Backbone interact. energy: 0.420
local terms energy: -96.562512
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -21.142
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: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -128.172371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.172371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.172371 (E_RNA)
where:
Base-Base interactions energy: -49.690
where: short stacking energy: -49.149
Base-Backbone interact. energy: -0.326
local terms energy: -78.156475
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -16.095
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: 8, replica: 1
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -112.845858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.845858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.845858 (E_RNA)
where:
Base-Base interactions energy: -43.445
where: short stacking energy: -44.937
Base-Backbone interact. energy: -0.190
local terms energy: -69.210930
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -7.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -110.248268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.248268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.248268 (E_RNA)
where:
Base-Base interactions energy: -40.678
where: short stacking energy: -32.634
Base-Backbone interact. energy: -0.330
local terms energy: -69.240985
where:
bonds (distance) C4'-P energy: -23.888
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -103.342886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.342886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.342886 (E_RNA)
where:
Base-Base interactions energy: -33.660
where: short stacking energy: -24.343
Base-Backbone interact. energy: 3.180
local terms energy: -72.863711
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -315.400898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.400898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.400898 (E_RNA)
where:
Base-Base interactions energy: -202.468
where: short stacking energy: -106.823
Base-Backbone interact. energy: -0.239
local terms energy: -112.693043
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -30.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -305.871830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.871830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.871830 (E_RNA)
where:
Base-Base interactions energy: -191.291
where: short stacking energy: -106.913
Base-Backbone interact. energy: 0.553
local terms energy: -115.134713
where:
bonds (distance) C4'-P energy: -23.076
bonds (distance) P-C4' energy: -20.357
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -19.184
tors. eta vs tors. theta energy: -27.750
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: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -252.148657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.148657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.148657 (E_RNA)
where:
Base-Base interactions energy: -140.372
where: short stacking energy: -87.901
Base-Backbone interact. energy: -0.024
local terms energy: -111.753178
where:
bonds (distance) C4'-P energy: -25.075
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -22.758
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: -22.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -258.605058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.605058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.605058 (E_RNA)
where:
Base-Base interactions energy: -157.938
where: short stacking energy: -83.424
Base-Backbone interact. energy: 0.070
local terms energy: -100.737185
where:
bonds (distance) C4'-P energy: -24.244
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -235.438476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.438476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.438476 (E_RNA)
where:
Base-Base interactions energy: -144.944
where: short stacking energy: -87.716
Base-Backbone interact. energy: -0.075
local terms energy: -90.419096
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -21.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -177.734567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.734567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.734567 (E_RNA)
where:
Base-Base interactions energy: -101.373
where: short stacking energy: -50.959
Base-Backbone interact. energy: 2.796
local terms energy: -79.158346
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -24.376
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -8.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -140.555251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.555251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.555251 (E_RNA)
where:
Base-Base interactions energy: -51.407
where: short stacking energy: -47.869
Base-Backbone interact. energy: -0.502
local terms energy: -88.645955
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -13.677
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: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -110.338927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.338927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.338927 (E_RNA)
where:
Base-Base interactions energy: -38.501
where: short stacking energy: -35.618
Base-Backbone interact. energy: 2.877
local terms energy: -74.715698
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -23.838
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -113.546975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.546975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.546975 (E_RNA)
where:
Base-Base interactions energy: -45.113
where: short stacking energy: -45.113
Base-Backbone interact. energy: -0.139
local terms energy: -68.294300
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -14.382
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: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -103.593025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.593025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.593025 (E_RNA)
where:
Base-Base interactions energy: -39.777
where: short stacking energy: -38.268
Base-Backbone interact. energy: -0.195
local terms energy: -63.621123
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -305.549598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.549598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.549598 (E_RNA)
where:
Base-Base interactions energy: -198.986
where: short stacking energy: -98.838
Base-Backbone interact. energy: -0.243
local terms energy: -106.321358
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -23.251
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -25.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -278.611074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.611074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.611074 (E_RNA)
where:
Base-Base interactions energy: -173.362
where: short stacking energy: -81.856
Base-Backbone interact. energy: -0.097
local terms energy: -105.151433
where:
bonds (distance) C4'-P energy: -22.522
bonds (distance) P-C4' energy: -21.702
flat angles C4'-P-C4' energy: -19.549
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -26.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -249.904169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.904169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.904169 (E_RNA)
where:
Base-Base interactions energy: -137.359
where: short stacking energy: -87.098
Base-Backbone interact. energy: -0.052
local terms energy: -112.493101
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -25.011
flat angles C4'-P-C4' energy: -25.475
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -24.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -256.650630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.650630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.650630 (E_RNA)
where:
Base-Base interactions energy: -158.272
where: short stacking energy: -90.092
Base-Backbone interact. energy: -0.108
local terms energy: -98.269819
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -14.411
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: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -228.112196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.112196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.112196 (E_RNA)
where:
Base-Base interactions energy: -138.932
where: short stacking energy: -65.113
Base-Backbone interact. energy: -0.176
local terms energy: -89.004485
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -13.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -192.142929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.142929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.142929 (E_RNA)
where:
Base-Base interactions energy: -101.792
where: short stacking energy: -60.312
Base-Backbone interact. energy: -0.297
local terms energy: -90.054429
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -130.198365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.198365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.198365 (E_RNA)
where:
Base-Base interactions energy: -54.433
where: short stacking energy: -54.740
Base-Backbone interact. energy: -0.163
local terms energy: -75.601978
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -109.472930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.472930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.472930 (E_RNA)
where:
Base-Base interactions energy: -34.873
where: short stacking energy: -31.337
Base-Backbone interact. energy: -0.559
local terms energy: -74.041739
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: 1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -139.443541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.443541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.443541 (E_RNA)
where:
Base-Base interactions energy: -65.685
where: short stacking energy: -41.441
Base-Backbone interact. energy: -0.069
local terms energy: -73.690064
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -108.266118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.266118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.266118 (E_RNA)
where:
Base-Base interactions energy: -37.172
where: short stacking energy: -35.012
Base-Backbone interact. energy: -0.061
local terms energy: -71.033125
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -23.525
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -13.616
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: 1, replica: 8
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -291.522816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.522816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.522816 (E_RNA)
where:
Base-Base interactions energy: -173.410
where: short stacking energy: -99.904
Base-Backbone interact. energy: -0.031
local terms energy: -118.081449
where:
bonds (distance) C4'-P energy: -26.393
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -29.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -304.833659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.833659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.833659 (E_RNA)
where:
Base-Base interactions energy: -196.685
where: short stacking energy: -90.585
Base-Backbone interact. energy: -0.161
local terms energy: -107.987819
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -24.045
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: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -251.504252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.504252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.504252 (E_RNA)
where:
Base-Base interactions energy: -139.983
where: short stacking energy: -83.614
Base-Backbone interact. energy: -0.493
local terms energy: -111.027839
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -24.928
flat angles P-C4'-P energy: -18.504
tors. eta vs tors. theta energy: -24.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -241.964522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.964522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.964522 (E_RNA)
where:
Base-Base interactions energy: -137.432
where: short stacking energy: -67.948
Base-Backbone interact. energy: -0.010
local terms energy: -104.521954
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -249.986719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.986719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.986719 (E_RNA)
where:
Base-Base interactions energy: -151.678
where: short stacking energy: -84.304
Base-Backbone interact. energy: -0.169
local terms energy: -98.138988
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -21.812
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -20.083
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: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -157.164930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.164930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.164930 (E_RNA)
where:
Base-Base interactions energy: -77.672
where: short stacking energy: -54.944
Base-Backbone interact. energy: 0.655
local terms energy: -80.147810
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -18.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -145.459581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.459581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.459581 (E_RNA)
where:
Base-Base interactions energy: -71.211
where: short stacking energy: -52.769
Base-Backbone interact. energy: -0.319
local terms energy: -73.929737
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -9.101
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: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -116.708320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.708320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.708320 (E_RNA)
where:
Base-Base interactions energy: -48.873
where: short stacking energy: -44.507
Base-Backbone interact. energy: 0.386
local terms energy: -68.221046
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -2.183
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: 5
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -116.177599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.177599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.177599 (E_RNA)
where:
Base-Base interactions energy: -38.030
where: short stacking energy: -37.396
Base-Backbone interact. energy: 0.337
local terms energy: -78.485192
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -117.761442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.761442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.761442 (E_RNA)
where:
Base-Base interactions energy: -55.891
where: short stacking energy: -35.738
Base-Backbone interact. energy: 1.772
local terms energy: -63.642902
where:
bonds (distance) C4'-P energy: -21.300
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: 0.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -310.395015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.395015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.395015 (E_RNA)
where:
Base-Base interactions energy: -186.794
where: short stacking energy: -115.534
Base-Backbone interact. energy: -0.074
local terms energy: -123.526879
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -17.904
tors. eta vs tors. theta energy: -35.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -267.936208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.936208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.936208 (E_RNA)
where:
Base-Base interactions energy: -153.356
where: short stacking energy: -94.836
Base-Backbone interact. energy: -0.163
local terms energy: -114.416634
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -27.470
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: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -290.079851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.079851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.079851 (E_RNA)
where:
Base-Base interactions energy: -177.450
where: short stacking energy: -93.170
Base-Backbone interact. energy: -0.941
local terms energy: -111.688214
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -24.330
flat angles C4'-P-C4' energy: -25.786
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -22.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -253.920585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.920585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.920585 (E_RNA)
where:
Base-Base interactions energy: -146.547
where: short stacking energy: -77.527
Base-Backbone interact. energy: -0.124
local terms energy: -107.249829
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -24.890
flat angles P-C4'-P energy: -18.908
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: 117
Temperature: 1.100000
Total energy: -238.490561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.490561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.490561 (E_RNA)
where:
Base-Base interactions energy: -138.047
where: short stacking energy: -75.988
Base-Backbone interact. energy: -0.224
local terms energy: -100.219239
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -21.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -128.052238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.052238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.052238 (E_RNA)
where:
Base-Base interactions energy: -46.333
where: short stacking energy: -46.333
Base-Backbone interact. energy: -0.060
local terms energy: -81.658682
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -134.503357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.503357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.503357 (E_RNA)
where:
Base-Base interactions energy: -51.617
where: short stacking energy: -50.872
Base-Backbone interact. energy: -0.075
local terms energy: -82.811534
where:
bonds (distance) C4'-P energy: -25.648
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -8.812
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: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -111.582948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.582948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.582948 (E_RNA)
where:
Base-Base interactions energy: -43.994
where: short stacking energy: -43.896
Base-Backbone interact. energy: 0.972
local terms energy: -68.560635
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -117.618937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.618937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.618937 (E_RNA)
where:
Base-Base interactions energy: -48.069
where: short stacking energy: -39.185
Base-Backbone interact. energy: -0.062
local terms energy: -69.488181
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -9.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -102.572361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.572361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.572361 (E_RNA)
where:
Base-Base interactions energy: -31.376
where: short stacking energy: -27.795
Base-Backbone interact. energy: -0.044
local terms energy: -71.152598
where:
bonds (distance) C4'-P energy: -18.428
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -12.247
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: 1, replica: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -283.639618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.639618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.639618 (E_RNA)
where:
Base-Base interactions energy: -176.263
where: short stacking energy: -95.105
Base-Backbone interact. energy: -0.037
local terms energy: -107.339288
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -23.394
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -17.781
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: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -277.439577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.439577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.439577 (E_RNA)
where:
Base-Base interactions energy: -162.220
where: short stacking energy: -99.152
Base-Backbone interact. energy: -0.002
local terms energy: -115.218166
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -18.044
tors. eta vs tors. theta energy: -27.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -292.310099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.310099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.310099 (E_RNA)
where:
Base-Base interactions energy: -183.909
where: short stacking energy: -97.299
Base-Backbone interact. energy: -0.045
local terms energy: -108.356543
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -24.035
flat angles C4'-P-C4' energy: -23.365
flat angles P-C4'-P energy: -19.201
tors. eta vs tors. theta energy: -27.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -256.566024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.566024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.566024 (E_RNA)
where:
Base-Base interactions energy: -156.428
where: short stacking energy: -78.946
Base-Backbone interact. energy: -0.171
local terms energy: -99.967016
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -26.141
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -232.028813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.028813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.028813 (E_RNA)
where:
Base-Base interactions energy: -132.359
where: short stacking energy: -78.126
Base-Backbone interact. energy: -0.185
local terms energy: -99.485357
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -14.989
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: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -147.832766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.832766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.832766 (E_RNA)
where:
Base-Base interactions energy: -55.140
where: short stacking energy: -55.140
Base-Backbone interact. energy: -0.280
local terms energy: -92.412299
where:
bonds (distance) C4'-P energy: -24.605
bonds (distance) P-C4' energy: -23.307
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -14.622
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: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -139.955314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.955314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.955314 (E_RNA)
where:
Base-Base interactions energy: -67.934
where: short stacking energy: -67.934
Base-Backbone interact. energy: -0.227
local terms energy: -71.793915
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -14.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -125.831849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.831849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.831849 (E_RNA)
where:
Base-Base interactions energy: -49.403
where: short stacking energy: -34.133
Base-Backbone interact. energy: -0.240
local terms energy: -76.189327
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -118.845660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.845660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.845660 (E_RNA)
where:
Base-Base interactions energy: -44.791
where: short stacking energy: -44.777
Base-Backbone interact. energy: -0.229
local terms energy: -73.825419
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -114.681953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.681953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.681953 (E_RNA)
where:
Base-Base interactions energy: -48.724
where: short stacking energy: -39.018
Base-Backbone interact. energy: -0.288
local terms energy: -65.669755
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -8.203
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: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -300.812018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.812018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.812018 (E_RNA)
where:
Base-Base interactions energy: -184.532
where: short stacking energy: -109.084
Base-Backbone interact. energy: -0.081
local terms energy: -116.198951
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -24.285
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -30.670
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: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -301.701483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.701483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.701483 (E_RNA)
where:
Base-Base interactions energy: -191.895
where: short stacking energy: -95.817
Base-Backbone interact. energy: -0.270
local terms energy: -109.535592
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -26.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -256.348382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.348382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.348382 (E_RNA)
where:
Base-Base interactions energy: -149.018
where: short stacking energy: -90.840
Base-Backbone interact. energy: -0.143
local terms energy: -107.186910
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -21.708
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: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -241.656357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.656357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.656357 (E_RNA)
where:
Base-Base interactions energy: -144.706
where: short stacking energy: -72.353
Base-Backbone interact. energy: 0.540
local terms energy: -97.490091
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -15.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -235.275009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.275009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.275009 (E_RNA)
where:
Base-Base interactions energy: -138.687
where: short stacking energy: -78.572
Base-Backbone interact. energy: -0.003
local terms energy: -96.585470
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -168.343476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.343476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.343476 (E_RNA)
where:
Base-Base interactions energy: -84.886
where: short stacking energy: -59.092
Base-Backbone interact. energy: -1.956
local terms energy: -81.501874
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -25.194
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -130.871086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.871086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.871086 (E_RNA)
where:
Base-Base interactions energy: -52.082
where: short stacking energy: -46.735
Base-Backbone interact. energy: -0.104
local terms energy: -78.685867
where:
bonds (distance) C4'-P energy: -20.087
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -122.240159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.240159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.240159 (E_RNA)
where:
Base-Base interactions energy: -48.794
where: short stacking energy: -43.679
Base-Backbone interact. energy: -0.038
local terms energy: -73.408369
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -111.231474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.231474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.231474 (E_RNA)
where:
Base-Base interactions energy: -49.489
where: short stacking energy: -33.479
Base-Backbone interact. energy: 0.672
local terms energy: -62.415056
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -126.974373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.974373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.974373 (E_RNA)
where:
Base-Base interactions energy: -51.993
where: short stacking energy: -51.993
Base-Backbone interact. energy: -0.104
local terms energy: -74.877336
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -14.727
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: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -296.172856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.172856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.172856 (E_RNA)
where:
Base-Base interactions energy: -184.596
where: short stacking energy: -87.899
Base-Backbone interact. energy: -0.748
local terms energy: -110.828712
where:
bonds (distance) C4'-P energy: -22.252
bonds (distance) P-C4' energy: -24.524
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -20.419
tors. eta vs tors. theta energy: -22.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -291.397339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.397339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.397339 (E_RNA)
where:
Base-Base interactions energy: -185.028
where: short stacking energy: -101.004
Base-Backbone interact. energy: -0.082
local terms energy: -106.287364
where:
bonds (distance) C4'-P energy: -22.899
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -28.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -263.763506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.763506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.763506 (E_RNA)
where:
Base-Base interactions energy: -162.470
where: short stacking energy: -84.061
Base-Backbone interact. energy: -0.032
local terms energy: -101.261723
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -24.451
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -254.183623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.183623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.183623 (E_RNA)
where:
Base-Base interactions energy: -146.886
where: short stacking energy: -93.887
Base-Backbone interact. energy: -0.117
local terms energy: -107.180612
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -26.651
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -24.380
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: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -219.882023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.882023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.882023 (E_RNA)
where:
Base-Base interactions energy: -130.350
where: short stacking energy: -75.752
Base-Backbone interact. energy: 1.791
local terms energy: -91.323602
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -16.836
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -193.642014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.642014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.642014 (E_RNA)
where:
Base-Base interactions energy: -98.805
where: short stacking energy: -69.705
Base-Backbone interact. energy: -0.354
local terms energy: -94.482962
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -15.352
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: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -140.908863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.908863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.908863 (E_RNA)
where:
Base-Base interactions energy: -61.927
where: short stacking energy: -52.624
Base-Backbone interact. energy: -0.092
local terms energy: -78.889513
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -129.366359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.366359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.366359 (E_RNA)
where:
Base-Base interactions energy: -52.330
where: short stacking energy: -52.330
Base-Backbone interact. energy: -0.079
local terms energy: -76.958057
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -22.504
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -109.508620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.508620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.508620 (E_RNA)
where:
Base-Base interactions energy: -27.652
where: short stacking energy: -27.652
Base-Backbone interact. energy: -0.536
local terms energy: -81.320240
where:
bonds (distance) C4'-P energy: -22.090
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -4.700
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: 3
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -115.605334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.605334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.605334 (E_RNA)
where:
Base-Base interactions energy: -53.395
where: short stacking energy: -39.139
Base-Backbone interact. energy: -0.531
local terms energy: -61.679279
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -9.375
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: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -300.643525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.643525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.643525 (E_RNA)
where:
Base-Base interactions energy: -190.830
where: short stacking energy: -88.461
Base-Backbone interact. energy: -0.961
local terms energy: -108.852646
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -17.013
tors. eta vs tors. theta energy: -25.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -287.858620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.858620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.858620 (E_RNA)
where:
Base-Base interactions energy: -178.278
where: short stacking energy: -102.450
Base-Backbone interact. energy: -0.120
local terms energy: -109.460424
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -27.888
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: 121
Temperature: 1.000000
Total energy: -286.595735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.595735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.595735 (E_RNA)
where:
Base-Base interactions energy: -181.280
where: short stacking energy: -98.735
Base-Backbone interact. energy: -0.030
local terms energy: -105.286359
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -26.184
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -28.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -265.820092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.820092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.820092 (E_RNA)
where:
Base-Base interactions energy: -149.262
where: short stacking energy: -93.603
Base-Backbone interact. energy: -0.291
local terms energy: -116.267511
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -25.564
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -29.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -249.359695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.359695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.359695 (E_RNA)
where:
Base-Base interactions energy: -140.479
where: short stacking energy: -71.191
Base-Backbone interact. energy: -0.196
local terms energy: -108.684745
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -25.702
flat angles C4'-P-C4' energy: -24.371
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -21.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -131.403062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.403062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.403062 (E_RNA)
where:
Base-Base interactions energy: -60.277
where: short stacking energy: -38.022
Base-Backbone interact. energy: -0.546
local terms energy: -70.579143
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -158.505084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.505084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.505084 (E_RNA)
where:
Base-Base interactions energy: -69.848
where: short stacking energy: -40.744
Base-Backbone interact. energy: -0.739
local terms energy: -87.917561
where:
bonds (distance) C4'-P energy: -21.719
bonds (distance) P-C4' energy: -23.569
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -116.219336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.219336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.219336 (E_RNA)
where:
Base-Base interactions energy: -43.998
where: short stacking energy: -43.998
Base-Backbone interact. energy: 3.119
local terms energy: -75.340703
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -9.318
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: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -111.088384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.088384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.088384 (E_RNA)
where:
Base-Base interactions energy: -36.636
where: short stacking energy: -33.586
Base-Backbone interact. energy: -0.611
local terms energy: -73.841613
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -116.726856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.726856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.726856 (E_RNA)
where:
Base-Base interactions energy: -33.773
where: short stacking energy: -33.719
Base-Backbone interact. energy: -0.486
local terms energy: -82.467830
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -301.589653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.589653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.589653 (E_RNA)
where:
Base-Base interactions energy: -202.733
where: short stacking energy: -98.090
Base-Backbone interact. energy: -0.528
local terms energy: -98.328069
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -296.877716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.877716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.877716 (E_RNA)
where:
Base-Base interactions energy: -179.588
where: short stacking energy: -103.177
Base-Backbone interact. energy: -0.339
local terms energy: -116.950594
where:
bonds (distance) C4'-P energy: -23.574
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -28.684
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: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -262.217597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.217597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.217597 (E_RNA)
where:
Base-Base interactions energy: -157.050
where: short stacking energy: -83.690
Base-Backbone interact. energy: 0.813
local terms energy: -105.980305
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -25.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -275.942910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.942910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.942910 (E_RNA)
where:
Base-Base interactions energy: -168.886
where: short stacking energy: -99.605
Base-Backbone interact. energy: -0.233
local terms energy: -106.823804
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -25.585
flat angles C4'-P-C4' energy: -23.838
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -26.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -231.806492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.806492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.806492 (E_RNA)
where:
Base-Base interactions energy: -146.091
where: short stacking energy: -75.841
Base-Backbone interact. energy: -0.413
local terms energy: -85.301993
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -144.253494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.253494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.253494 (E_RNA)
where:
Base-Base interactions energy: -59.683
where: short stacking energy: -59.337
Base-Backbone interact. energy: -0.187
local terms energy: -84.383403
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -6.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -163.378565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.378565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.378565 (E_RNA)
where:
Base-Base interactions energy: -91.274
where: short stacking energy: -57.465
Base-Backbone interact. energy: -0.825
local terms energy: -71.280098
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -136.484312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.484312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.484312 (E_RNA)
where:
Base-Base interactions energy: -52.183
where: short stacking energy: -37.912
Base-Backbone interact. energy: -0.474
local terms energy: -83.826878
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -99.725377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.725377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.725377 (E_RNA)
where:
Base-Base interactions energy: -31.613
where: short stacking energy: -25.302
Base-Backbone interact. energy: -0.534
local terms energy: -67.578093
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -21.580
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: 5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -106.759576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.759576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.759576 (E_RNA)
where:
Base-Base interactions energy: -51.087
where: short stacking energy: -21.425
Base-Backbone interact. energy: -0.261
local terms energy: -55.412246
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -10.512
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: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -302.197848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.197848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.197848 (E_RNA)
where:
Base-Base interactions energy: -196.659
where: short stacking energy: -82.281
Base-Backbone interact. energy: -0.223
local terms energy: -105.315205
where:
bonds (distance) C4'-P energy: -22.682
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -21.536
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -21.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -277.796340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.796340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.796340 (E_RNA)
where:
Base-Base interactions energy: -162.981
where: short stacking energy: -103.042
Base-Backbone interact. energy: -0.339
local terms energy: -114.476393
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -21.516
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -33.226
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: 123
Temperature: 1.000000
Total energy: -284.006597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.006597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.006597 (E_RNA)
where:
Base-Base interactions energy: -177.069
where: short stacking energy: -105.422
Base-Backbone interact. energy: 0.292
local terms energy: -107.229231
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -32.641
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: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -268.794192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.794192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.794192 (E_RNA)
where:
Base-Base interactions energy: -170.141
where: short stacking energy: -100.444
Base-Backbone interact. energy: -0.764
local terms energy: -97.888922
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -10.839
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -30.830
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: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -225.030481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.030481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.030481 (E_RNA)
where:
Base-Base interactions energy: -119.329
where: short stacking energy: -74.472
Base-Backbone interact. energy: -0.062
local terms energy: -105.639738
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -23.491
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -182.452400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.452400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.452400 (E_RNA)
where:
Base-Base interactions energy: -98.632
where: short stacking energy: -63.604
Base-Backbone interact. energy: -0.245
local terms energy: -83.574849
where:
bonds (distance) C4'-P energy: -24.016
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -15.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -124.288603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.288603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.288603 (E_RNA)
where:
Base-Base interactions energy: -52.728
where: short stacking energy: -35.944
Base-Backbone interact. energy: -0.065
local terms energy: -71.495255
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: 1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -133.995823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.995823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.995823 (E_RNA)
where:
Base-Base interactions energy: -53.205
where: short stacking energy: -45.581
Base-Backbone interact. energy: -0.160
local terms energy: -80.630800
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -7.256
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: 9, replica: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -122.593938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.593938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.593938 (E_RNA)
where:
Base-Base interactions energy: -44.999
where: short stacking energy: -44.675
Base-Backbone interact. energy: -0.056
local terms energy: -77.539023
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -18.405
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -7.719
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: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -104.849698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.849698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.849698 (E_RNA)
where:
Base-Base interactions energy: -28.691
where: short stacking energy: -28.691
Base-Backbone interact. energy: -0.168
local terms energy: -75.991130
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -3.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -283.075740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.075740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.075740 (E_RNA)
where:
Base-Base interactions energy: -167.833
where: short stacking energy: -100.181
Base-Backbone interact. energy: -0.101
local terms energy: -115.141305
where:
bonds (distance) C4'-P energy: -23.959
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -25.141
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -30.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -294.141579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.141579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.141579 (E_RNA)
where:
Base-Base interactions energy: -183.752
where: short stacking energy: -85.800
Base-Backbone interact. energy: -0.499
local terms energy: -109.890442
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -16.989
tors. eta vs tors. theta energy: -25.206
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: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -267.894449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.894449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.894449 (E_RNA)
where:
Base-Base interactions energy: -164.066
where: short stacking energy: -94.533
Base-Backbone interact. energy: -0.434
local terms energy: -103.394948
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -24.414
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -28.408
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: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -293.519577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.519577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.519577 (E_RNA)
where:
Base-Base interactions energy: -175.562
where: short stacking energy: -95.681
Base-Backbone interact. energy: -0.274
local terms energy: -117.683584
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -28.712
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: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -214.128012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.128012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.128012 (E_RNA)
where:
Base-Base interactions energy: -125.953
where: short stacking energy: -74.203
Base-Backbone interact. energy: 1.433
local terms energy: -89.607091
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -18.524
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: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -182.335418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.335418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.335418 (E_RNA)
where:
Base-Base interactions energy: -106.131
where: short stacking energy: -50.382
Base-Backbone interact. energy: -0.380
local terms energy: -75.823778
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -122.853261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.853261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.853261 (E_RNA)
where:
Base-Base interactions energy: -44.567
where: short stacking energy: -35.334
Base-Backbone interact. energy: 0.082
local terms energy: -78.367889
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -15.703
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: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -104.841654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.841654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.841654 (E_RNA)
where:
Base-Base interactions energy: -38.716
where: short stacking energy: -33.163
Base-Backbone interact. energy: -0.314
local terms energy: -65.811957
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -8.782
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: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -109.044421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.044421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.044421 (E_RNA)
where:
Base-Base interactions energy: -48.063
where: short stacking energy: -43.385
Base-Backbone interact. energy: -0.711
local terms energy: -60.270214
where:
bonds (distance) C4'-P energy: -8.073
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -103.262290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.262290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.262290 (E_RNA)
where:
Base-Base interactions energy: -49.834
where: short stacking energy: -38.013
Base-Backbone interact. energy: -0.299
local terms energy: -53.129315
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: 3.432
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: 1, replica: 10
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -282.704030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.704030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.704030 (E_RNA)
where:
Base-Base interactions energy: -162.897
where: short stacking energy: -100.615
Base-Backbone interact. energy: -0.059
local terms energy: -119.748461
where:
bonds (distance) C4'-P energy: -21.142
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -26.708
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -32.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -295.199371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.199371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.199371 (E_RNA)
where:
Base-Base interactions energy: -195.116
where: short stacking energy: -90.685
Base-Backbone interact. energy: -0.342
local terms energy: -99.742110
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -25.090
flat angles P-C4'-P energy: -12.675
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: 125
Temperature: 1.000000
Total energy: -270.718912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.718912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.718912 (E_RNA)
where:
Base-Base interactions energy: -166.943
where: short stacking energy: -94.276
Base-Backbone interact. energy: -0.018
local terms energy: -103.758239
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -26.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -266.884778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.884778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.884778 (E_RNA)
where:
Base-Base interactions energy: -162.997
where: short stacking energy: -86.240
Base-Backbone interact. energy: -0.183
local terms energy: -103.704800
where:
bonds (distance) C4'-P energy: -23.193
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -26.908
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: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -238.634010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.634010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.634010 (E_RNA)
where:
Base-Base interactions energy: -136.697
where: short stacking energy: -78.609
Base-Backbone interact. energy: -0.217
local terms energy: -101.720446
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -135.336501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.336501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.336501 (E_RNA)
where:
Base-Base interactions energy: -61.569
where: short stacking energy: -56.170
Base-Backbone interact. energy: -0.100
local terms energy: -73.668247
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -13.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -158.091497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.091497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.091497 (E_RNA)
where:
Base-Base interactions energy: -86.318
where: short stacking energy: -54.062
Base-Backbone interact. energy: -0.378
local terms energy: -71.395987
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -8.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -118.754395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.754395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.754395 (E_RNA)
where:
Base-Base interactions energy: -46.873
where: short stacking energy: -35.248
Base-Backbone interact. energy: 2.769
local terms energy: -74.650108
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -26.657
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -100.089779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.089779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.089779 (E_RNA)
where:
Base-Base interactions energy: -32.305
where: short stacking energy: -30.552
Base-Backbone interact. energy: 0.409
local terms energy: -68.192868
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -117.220688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.220688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.220688 (E_RNA)
where:
Base-Base interactions energy: -48.134
where: short stacking energy: -38.985
Base-Backbone interact. energy: 0.650
local terms energy: -69.737063
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -313.661527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.661527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.661527 (E_RNA)
where:
Base-Base interactions energy: -209.479
where: short stacking energy: -88.151
Base-Backbone interact. energy: -0.764
local terms energy: -103.419096
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -24.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -259.610522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.610522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.610522 (E_RNA)
where:
Base-Base interactions energy: -158.319
where: short stacking energy: -96.251
Base-Backbone interact. energy: -0.029
local terms energy: -101.262589
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -25.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -275.311329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.311329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.311329 (E_RNA)
where:
Base-Base interactions energy: -170.605
where: short stacking energy: -95.263
Base-Backbone interact. energy: -0.199
local terms energy: -104.506884
where:
bonds (distance) C4'-P energy: -21.828
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -18.290
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: 126
Temperature: 1.050000
Total energy: -233.991827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.991827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.991827 (E_RNA)
where:
Base-Base interactions energy: -137.241
where: short stacking energy: -75.603
Base-Backbone interact. energy: -0.940
local terms energy: -95.810693
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: -12.134
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: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -230.158296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.158296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.158296 (E_RNA)
where:
Base-Base interactions energy: -132.430
where: short stacking energy: -78.463
Base-Backbone interact. energy: -0.131
local terms energy: -97.597100
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -20.448
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -17.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -136.580033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.580033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.580033 (E_RNA)
where:
Base-Base interactions energy: -58.562
where: short stacking energy: -54.009
Base-Backbone interact. energy: 0.240
local terms energy: -78.257331
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -174.387793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.387793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.387793 (E_RNA)
where:
Base-Base interactions energy: -99.698
where: short stacking energy: -47.934
Base-Backbone interact. energy: -0.426
local terms energy: -74.264193
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -108.080207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.080207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.080207 (E_RNA)
where:
Base-Base interactions energy: -43.237
where: short stacking energy: -36.402
Base-Backbone interact. energy: -0.307
local terms energy: -64.535707
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -2.479
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: 3
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -128.055785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.055785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.055785 (E_RNA)
where:
Base-Base interactions energy: -55.983
where: short stacking energy: -51.721
Base-Backbone interact. energy: 0.598
local terms energy: -72.670857
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -8.439
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -13.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -108.900178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.900178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.900178 (E_RNA)
where:
Base-Base interactions energy: -31.389
where: short stacking energy: -31.035
Base-Backbone interact. energy: 0.067
local terms energy: -77.578305
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -331.096696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.096696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.096696 (E_RNA)
where:
Base-Base interactions energy: -214.386
where: short stacking energy: -110.111
Base-Backbone interact. energy: -0.217
local terms energy: -116.493218
where:
bonds (distance) C4'-P energy: -25.788
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -24.740
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -31.017
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: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -286.076001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.076001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.076001 (E_RNA)
where:
Base-Base interactions energy: -172.962
where: short stacking energy: -106.700
Base-Backbone interact. energy: -0.417
local terms energy: -112.697489
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -26.723
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -30.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -264.412260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.412260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.412260 (E_RNA)
where:
Base-Base interactions energy: -151.603
where: short stacking energy: -95.015
Base-Backbone interact. energy: -0.200
local terms energy: -112.608878
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -24.505
flat angles C4'-P-C4' energy: -22.915
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -28.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -251.947097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.947097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.947097 (E_RNA)
where:
Base-Base interactions energy: -151.604
where: short stacking energy: -73.251
Base-Backbone interact. energy: -0.481
local terms energy: -99.862710
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -247.975116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.975116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.975116 (E_RNA)
where:
Base-Base interactions energy: -143.929
where: short stacking energy: -78.060
Base-Backbone interact. energy: -0.127
local terms energy: -103.919741
where:
bonds (distance) C4'-P energy: -22.157
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -23.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -238.359622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.359622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.359622 (E_RNA)
where:
Base-Base interactions energy: -137.164
where: short stacking energy: -79.119
Base-Backbone interact. energy: -0.567
local terms energy: -100.628863
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -19.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -126.306576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.306576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.306576 (E_RNA)
where:
Base-Base interactions energy: -57.608
where: short stacking energy: -41.410
Base-Backbone interact. energy: 2.330
local terms energy: -71.028953
where:
bonds (distance) C4'-P energy: -23.221
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: 3.082
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: 127
Temperature: 1.250000
Total energy: -127.359262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.359262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.359262 (E_RNA)
where:
Base-Base interactions energy: -47.036
where: short stacking energy: -47.036
Base-Backbone interact. energy: -0.281
local terms energy: -80.042392
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -111.390056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.390056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.390056 (E_RNA)
where:
Base-Base interactions energy: -35.403
where: short stacking energy: -31.178
Base-Backbone interact. energy: -0.427
local terms energy: -75.559860
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -8.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -104.259553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.259553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.259553 (E_RNA)
where:
Base-Base interactions energy: -35.838
where: short stacking energy: -34.646
Base-Backbone interact. energy: -0.118
local terms energy: -68.303780
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -286.019526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.019526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.019526 (E_RNA)
where:
Base-Base interactions energy: -182.473
where: short stacking energy: -101.753
Base-Backbone interact. energy: -0.009
local terms energy: -103.537470
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -12.639
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: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -313.001336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.001336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.001336 (E_RNA)
where:
Base-Base interactions energy: -197.623
where: short stacking energy: -100.204
Base-Backbone interact. energy: -1.607
local terms energy: -113.771767
where:
bonds (distance) C4'-P energy: -22.593
bonds (distance) P-C4' energy: -24.007
flat angles C4'-P-C4' energy: -23.317
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -26.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -240.453306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.453306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.453306 (E_RNA)
where:
Base-Base interactions energy: -150.221
where: short stacking energy: -81.829
Base-Backbone interact. energy: -0.093
local terms energy: -90.139632
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -245.519395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.519395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.519395 (E_RNA)
where:
Base-Base interactions energy: -148.794
where: short stacking energy: -81.034
Base-Backbone interact. energy: -0.137
local terms energy: -96.587689
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -24.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -260.663782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.663782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.663782 (E_RNA)
where:
Base-Base interactions energy: -157.475
where: short stacking energy: -77.897
Base-Backbone interact. energy: 0.148
local terms energy: -103.337196
where:
bonds (distance) C4'-P energy: -26.124
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -23.204
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -239.789986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.789986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.789986 (E_RNA)
where:
Base-Base interactions energy: -155.863
where: short stacking energy: -81.291
Base-Backbone interact. energy: -0.140
local terms energy: -83.787253
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -125.451672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.451672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.451672 (E_RNA)
where:
Base-Base interactions energy: -40.396
where: short stacking energy: -38.482
Base-Backbone interact. energy: -1.920
local terms energy: -83.135322
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -7.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -118.564241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.564241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.564241 (E_RNA)
where:
Base-Base interactions energy: -57.771
where: short stacking energy: -37.239
Base-Backbone interact. energy: 0.897
local terms energy: -61.690135
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -12.824
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: 1
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -110.979417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.979417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.979417 (E_RNA)
where:
Base-Base interactions energy: -38.353
where: short stacking energy: -35.325
Base-Backbone interact. energy: -0.029
local terms energy: -72.597558
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -13.358
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: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -103.438254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.438254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.438254 (E_RNA)
where:
Base-Base interactions energy: -32.906
where: short stacking energy: -21.375
Base-Backbone interact. energy: -0.136
local terms energy: -70.396868
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -14.672
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: 129
Temperature: 0.900000
Total energy: -318.724606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.724606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.724606 (E_RNA)
where:
Base-Base interactions energy: -193.887
where: short stacking energy: -106.565
Base-Backbone interact. energy: -0.057
local terms energy: -124.780154
where:
bonds (distance) C4'-P energy: -26.818
bonds (distance) P-C4' energy: -25.671
flat angles C4'-P-C4' energy: -23.245
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -34.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -297.833631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.833631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.833631 (E_RNA)
where:
Base-Base interactions energy: -192.248
where: short stacking energy: -97.078
Base-Backbone interact. energy: -0.268
local terms energy: -105.318247
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -24.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -248.611995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.611995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.611995 (E_RNA)
where:
Base-Base interactions energy: -142.767
where: short stacking energy: -93.955
Base-Backbone interact. energy: -0.118
local terms energy: -105.726882
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -24.702
flat angles C4'-P-C4' energy: -23.714
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -25.171
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: 129
Temperature: 1.050000
Total energy: -250.596148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.596148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.596148 (E_RNA)
where:
Base-Base interactions energy: -149.447
where: short stacking energy: -80.191
Base-Backbone interact. energy: -0.727
local terms energy: -100.422460
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -24.623
flat angles C4'-P-C4' energy: -20.472
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -21.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -236.611302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.611302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.611302 (E_RNA)
where:
Base-Base interactions energy: -136.328
where: short stacking energy: -69.824
Base-Backbone interact. energy: -0.371
local terms energy: -99.911520
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -24.501
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -231.025145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.025145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.025145 (E_RNA)
where:
Base-Base interactions energy: -140.112
where: short stacking energy: -73.488
Base-Backbone interact. energy: 0.294
local terms energy: -91.207310
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -11.377
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: 7, replica: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -115.548968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.548968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.548968 (E_RNA)
where:
Base-Base interactions energy: -35.902
where: short stacking energy: -29.352
Base-Backbone interact. energy: -0.536
local terms energy: -79.111330
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -109.096815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.096815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.096815 (E_RNA)
where:
Base-Base interactions energy: -34.187
where: short stacking energy: -30.446
Base-Backbone interact. energy: -0.509
local terms energy: -74.400890
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -147.692816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.692816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.692816 (E_RNA)
where:
Base-Base interactions energy: -69.195
where: short stacking energy: -42.041
Base-Backbone interact. energy: 0.013
local terms energy: -78.510439
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -10.712
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: 129
Temperature: 1.350000
Total energy: -114.221222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.221222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.221222 (E_RNA)
where:
Base-Base interactions energy: -44.357
where: short stacking energy: -33.999
Base-Backbone interact. energy: -0.035
local terms energy: -69.829478
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -314.532020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.532020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.532020 (E_RNA)
where:
Base-Base interactions energy: -196.522
where: short stacking energy: -105.918
Base-Backbone interact. energy: -0.204
local terms energy: -117.805550
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -20.748
tors. eta vs tors. theta energy: -30.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -301.613800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.613800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.613800 (E_RNA)
where:
Base-Base interactions energy: -193.121
where: short stacking energy: -102.403
Base-Backbone interact. energy: 0.893
local terms energy: -109.385932
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -28.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -252.108030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.108030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.108030 (E_RNA)
where:
Base-Base interactions energy: -149.104
where: short stacking energy: -77.610
Base-Backbone interact. energy: -0.742
local terms energy: -102.262642
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -26.273
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -210.779590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.779590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.779590 (E_RNA)
where:
Base-Base interactions energy: -116.817
where: short stacking energy: -59.910
Base-Backbone interact. energy: -0.142
local terms energy: -93.820668
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -7.342
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: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -245.320353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.320353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.320353 (E_RNA)
where:
Base-Base interactions energy: -152.978
where: short stacking energy: -77.830
Base-Backbone interact. energy: -0.255
local terms energy: -92.086561
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -215.871313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.871313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871313 (E_RNA)
where:
Base-Base interactions energy: -123.505
where: short stacking energy: -65.670
Base-Backbone interact. energy: -0.438
local terms energy: -91.929055
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -15.324
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: 7, replica: 3
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -136.208211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.208211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.208211 (E_RNA)
where:
Base-Base interactions energy: -60.901
where: short stacking energy: -55.076
Base-Backbone interact. energy: -0.765
local terms energy: -74.542272
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -10.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -134.886038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.886038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.886038 (E_RNA)
where:
Base-Base interactions energy: -52.137
where: short stacking energy: -52.137
Base-Backbone interact. energy: -0.131
local terms energy: -82.618761
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -21.965
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -13.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -112.895974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.895974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.895974 (E_RNA)
where:
Base-Base interactions energy: -51.147
where: short stacking energy: -51.024
Base-Backbone interact. energy: -0.394
local terms energy: -61.354951
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -102.356217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.356217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.356217 (E_RNA)
where:
Base-Base interactions energy: -31.964
where: short stacking energy: -22.080
Base-Backbone interact. energy: -0.297
local terms energy: -70.094659
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -0.339
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: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -306.948713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.948713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.948713 (E_RNA)
where:
Base-Base interactions energy: -190.061
where: short stacking energy: -110.107
Base-Backbone interact. energy: -0.327
local terms energy: -116.560831
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -25.871
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -32.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -306.213573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.213573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.213573 (E_RNA)
where:
Base-Base interactions energy: -197.947
where: short stacking energy: -100.387
Base-Backbone interact. energy: 0.610
local terms energy: -108.876686
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -25.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -271.779919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.779919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.779919 (E_RNA)
where:
Base-Base interactions energy: -167.766
where: short stacking energy: -94.448
Base-Backbone interact. energy: -0.252
local terms energy: -103.762123
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -24.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -253.506499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.506499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.506499 (E_RNA)
where:
Base-Base interactions energy: -153.643
where: short stacking energy: -81.701
Base-Backbone interact. energy: -0.653
local terms energy: -99.210162
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -23.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -211.661738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.661738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.661738 (E_RNA)
where:
Base-Base interactions energy: -125.313
where: short stacking energy: -70.918
Base-Backbone interact. energy: -0.353
local terms energy: -85.996127
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -13.102
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: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -221.179119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.179119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.179119 (E_RNA)
where:
Base-Base interactions energy: -123.844
where: short stacking energy: -66.269
Base-Backbone interact. energy: 0.075
local terms energy: -97.410150
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -24.423
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -15.888
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -122.012860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.012860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.012860 (E_RNA)
where:
Base-Base interactions energy: -51.094
where: short stacking energy: -40.544
Base-Backbone interact. energy: 1.231
local terms energy: -72.149826
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -118.328180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.328180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.328180 (E_RNA)
where:
Base-Base interactions energy: -44.397
where: short stacking energy: -41.103
Base-Backbone interact. energy: -0.625
local terms energy: -73.306147
where:
bonds (distance) C4'-P energy: -23.051
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -99.858591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.858591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.858591 (E_RNA)
where:
Base-Base interactions energy: -38.353
where: short stacking energy: -36.372
Base-Backbone interact. energy: -0.332
local terms energy: -61.172988
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -6.386
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: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -110.252477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.252477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.252477 (E_RNA)
where:
Base-Base interactions energy: -37.941
where: short stacking energy: -37.941
Base-Backbone interact. energy: -0.333
local terms energy: -71.978110
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -11.399
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: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -310.831828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.831828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.831828 (E_RNA)
where:
Base-Base interactions energy: -199.454
where: short stacking energy: -112.242
Base-Backbone interact. energy: -0.459
local terms energy: -110.918103
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -21.043
flat angles C4'-P-C4' energy: -25.080
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -28.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -293.831691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.831691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.831691 (E_RNA)
where:
Base-Base interactions energy: -169.496
where: short stacking energy: -100.192
Base-Backbone interact. energy: -1.749
local terms energy: -122.587162
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -32.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -277.790635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.790635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.790635 (E_RNA)
where:
Base-Base interactions energy: -175.814
where: short stacking energy: -100.898
Base-Backbone interact. energy: -0.011
local terms energy: -101.965152
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -16.752
tors. eta vs tors. theta energy: -25.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -245.976785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.976785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.976785 (E_RNA)
where:
Base-Base interactions energy: -141.287
where: short stacking energy: -73.333
Base-Backbone interact. energy: -0.347
local terms energy: -104.342788
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -25.833
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -22.023
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: 132
Temperature: 1.100000
Total energy: -254.361911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.361911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.361911 (E_RNA)
where:
Base-Base interactions energy: -154.705
where: short stacking energy: -82.967
Base-Backbone interact. energy: -0.017
local terms energy: -99.640396
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -21.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -230.706620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.706620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.706620 (E_RNA)
where:
Base-Base interactions energy: -137.982
where: short stacking energy: -79.329
Base-Backbone interact. energy: -0.622
local terms energy: -92.103015
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -134.902782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.902782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.902782 (E_RNA)
where:
Base-Base interactions energy: -61.131
where: short stacking energy: -61.131
Base-Backbone interact. energy: -0.023
local terms energy: -73.748971
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -108.965451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.965451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.965451 (E_RNA)
where:
Base-Base interactions energy: -29.806
where: short stacking energy: -25.291
Base-Backbone interact. energy: -0.162
local terms energy: -78.997490
where:
bonds (distance) C4'-P energy: -25.031
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -115.077216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.077216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.077216 (E_RNA)
where:
Base-Base interactions energy: -51.267
where: short stacking energy: -51.267
Base-Backbone interact. energy: -0.182
local terms energy: -63.628087
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -13.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -99.339142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.339142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.339142 (E_RNA)
where:
Base-Base interactions energy: -47.922
where: short stacking energy: -32.240
Base-Backbone interact. energy: -0.597
local terms energy: -50.820429
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: 1.178
tors. eta vs tors. theta energy: 5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -304.114792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.114792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.114792 (E_RNA)
where:
Base-Base interactions energy: -188.210
where: short stacking energy: -96.252
Base-Backbone interact. energy: -1.248
local terms energy: -114.656318
where:
bonds (distance) C4'-P energy: -25.191
bonds (distance) P-C4' energy: -24.576
flat angles C4'-P-C4' energy: -21.772
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -28.281
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: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -284.915382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.915382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.915382 (E_RNA)
where:
Base-Base interactions energy: -178.565
where: short stacking energy: -98.017
Base-Backbone interact. energy: -0.012
local terms energy: -106.338081
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -22.050
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -30.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -269.434751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.434751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.434751 (E_RNA)
where:
Base-Base interactions energy: -154.026
where: short stacking energy: -84.711
Base-Backbone interact. energy: -0.201
local terms energy: -115.208468
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -26.914
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: -28.032
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: 133
Temperature: 1.050000
Total energy: -233.419772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.419772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.419772 (E_RNA)
where:
Base-Base interactions energy: -147.020
where: short stacking energy: -71.188
Base-Backbone interact. energy: -0.310
local terms energy: -86.089179
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -242.155516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.155516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.155516 (E_RNA)
where:
Base-Base interactions energy: -142.989
where: short stacking energy: -76.548
Base-Backbone interact. energy: -0.064
local terms energy: -99.102627
where:
bonds (distance) C4'-P energy: -23.384
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -24.188
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: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -214.027973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.027973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.027973 (E_RNA)
where:
Base-Base interactions energy: -122.029
where: short stacking energy: -68.436
Base-Backbone interact. energy: 0.915
local terms energy: -92.914491
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -18.827
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: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -123.725468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.725468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.725468 (E_RNA)
where:
Base-Base interactions energy: -48.189
where: short stacking energy: -44.203
Base-Backbone interact. energy: -0.271
local terms energy: -75.265776
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -113.944426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.944426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.944426 (E_RNA)
where:
Base-Base interactions energy: -40.940
where: short stacking energy: -40.928
Base-Backbone interact. energy: -0.149
local terms energy: -72.855964
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -3.776
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: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -108.023649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.023649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.023649 (E_RNA)
where:
Base-Base interactions energy: -44.976
where: short stacking energy: -22.718
Base-Backbone interact. energy: -1.034
local terms energy: -62.013531
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: 2.195
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: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -120.497740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.497740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.497740 (E_RNA)
where:
Base-Base interactions energy: -53.925
where: short stacking energy: -23.698
Base-Backbone interact. energy: -0.530
local terms energy: -66.042445
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: 4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -315.620657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.620657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.620657 (E_RNA)
where:
Base-Base interactions energy: -191.020
where: short stacking energy: -100.675
Base-Backbone interact. energy: -0.820
local terms energy: -123.779838
where:
bonds (distance) C4'-P energy: -24.599
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -26.263
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -31.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -292.378135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.378135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.378135 (E_RNA)
where:
Base-Base interactions energy: -177.156
where: short stacking energy: -101.599
Base-Backbone interact. energy: -0.089
local terms energy: -115.132466
where:
bonds (distance) C4'-P energy: -22.654
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -24.734
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -27.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -247.613585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.613585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.613585 (E_RNA)
where:
Base-Base interactions energy: -146.561
where: short stacking energy: -73.237
Base-Backbone interact. energy: -0.147
local terms energy: -100.905896
where:
bonds (distance) C4'-P energy: -23.599
bonds (distance) P-C4' energy: -25.015
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -243.655943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.655943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.655943 (E_RNA)
where:
Base-Base interactions energy: -138.986
where: short stacking energy: -80.905
Base-Backbone interact. energy: -0.156
local terms energy: -104.513637
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -21.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -238.385449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.385449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.385449 (E_RNA)
where:
Base-Base interactions energy: -145.938
where: short stacking energy: -83.191
Base-Backbone interact. energy: -0.166
local terms energy: -92.281834
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -21.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -220.966251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.966251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.966251 (E_RNA)
where:
Base-Base interactions energy: -135.246
where: short stacking energy: -80.134
Base-Backbone interact. energy: 0.321
local terms energy: -86.040986
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -152.389816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.389816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.389816 (E_RNA)
where:
Base-Base interactions energy: -85.476
where: short stacking energy: -48.036
Base-Backbone interact. energy: 0.581
local terms energy: -67.495551
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -121.743066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.743066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.743066 (E_RNA)
where:
Base-Base interactions energy: -45.008
where: short stacking energy: -40.559
Base-Backbone interact. energy: -0.092
local terms energy: -76.642960
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -141.453313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.453313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.453313 (E_RNA)
where:
Base-Base interactions energy: -80.849
where: short stacking energy: -47.277
Base-Backbone interact. energy: 1.122
local terms energy: -61.726523
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -105.649064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.649064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.649064 (E_RNA)
where:
Base-Base interactions energy: -37.108
where: short stacking energy: -28.932
Base-Backbone interact. energy: -0.282
local terms energy: -68.259243
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -13.237
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: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -302.709050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.709050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.709050 (E_RNA)
where:
Base-Base interactions energy: -190.415
where: short stacking energy: -95.628
Base-Backbone interact. energy: -0.856
local terms energy: -111.437781
where:
bonds (distance) C4'-P energy: -23.085
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -24.715
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -29.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -285.807241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.807241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.807241 (E_RNA)
where:
Base-Base interactions energy: -175.706
where: short stacking energy: -98.959
Base-Backbone interact. energy: 0.618
local terms energy: -110.719786
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -25.152
flat angles C4'-P-C4' energy: -27.629
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -26.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -273.369921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.369921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.369921 (E_RNA)
where:
Base-Base interactions energy: -165.400
where: short stacking energy: -88.625
Base-Backbone interact. energy: -0.227
local terms energy: -107.743067
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -230.852763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.852763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.852763 (E_RNA)
where:
Base-Base interactions energy: -139.002
where: short stacking energy: -87.891
Base-Backbone interact. energy: 0.201
local terms energy: -92.051799
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -230.713205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.713205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.713205 (E_RNA)
where:
Base-Base interactions energy: -130.352
where: short stacking energy: -73.087
Base-Backbone interact. energy: -0.263
local terms energy: -100.098173
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -14.657
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: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -176.690908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.690908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.690908 (E_RNA)
where:
Base-Base interactions energy: -88.523
where: short stacking energy: -49.856
Base-Backbone interact. energy: -0.218
local terms energy: -87.949675
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -21.391
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -216.772152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.772152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.772152 (E_RNA)
where:
Base-Base interactions energy: -129.040
where: short stacking energy: -75.355
Base-Backbone interact. energy: -0.195
local terms energy: -87.537299
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -121.227871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.227871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.227871 (E_RNA)
where:
Base-Base interactions energy: -52.128
where: short stacking energy: -40.321
Base-Backbone interact. energy: -0.118
local terms energy: -68.981381
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -5.379
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: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -109.632001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.632001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.632001 (E_RNA)
where:
Base-Base interactions energy: -42.912
where: short stacking energy: -42.193
Base-Backbone interact. energy: -0.296
local terms energy: -66.424230
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -3.444
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: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -136.514278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.514278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.514278 (E_RNA)
where:
Base-Base interactions energy: -67.792
where: short stacking energy: -31.574
Base-Backbone interact. energy: 1.468
local terms energy: -70.190621
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -305.293318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.293318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.293318 (E_RNA)
where:
Base-Base interactions energy: -189.479
where: short stacking energy: -83.346
Base-Backbone interact. energy: -0.803
local terms energy: -115.011406
where:
bonds (distance) C4'-P energy: -26.811
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -19.641
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: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -290.287218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.287218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.287218 (E_RNA)
where:
Base-Base interactions energy: -180.763
where: short stacking energy: -88.205
Base-Backbone interact. energy: 0.609
local terms energy: -110.132623
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -264.460383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.460383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.460383 (E_RNA)
where:
Base-Base interactions energy: -157.655
where: short stacking energy: -85.385
Base-Backbone interact. energy: -0.079
local terms energy: -106.726402
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -17.234
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -231.585455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.585455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.585455 (E_RNA)
where:
Base-Base interactions energy: -133.158
where: short stacking energy: -75.693
Base-Backbone interact. energy: -0.176
local terms energy: -98.251749
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -234.408342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.408342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.408342 (E_RNA)
where:
Base-Base interactions energy: -137.380
where: short stacking energy: -74.086
Base-Backbone interact. energy: -0.291
local terms energy: -96.737450
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -18.931
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -160.917395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.917395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.917395 (E_RNA)
where:
Base-Base interactions energy: -77.013
where: short stacking energy: -50.877
Base-Backbone interact. energy: -0.367
local terms energy: -83.536972
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -12.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -192.289358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.289358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.289358 (E_RNA)
where:
Base-Base interactions energy: -113.032
where: short stacking energy: -55.740
Base-Backbone interact. energy: 0.664
local terms energy: -79.921563
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -8.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -124.648830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.648830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.648830 (E_RNA)
where:
Base-Base interactions energy: -52.744
where: short stacking energy: -42.714
Base-Backbone interact. energy: 0.896
local terms energy: -72.801498
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -11.953
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: 9, replica: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -120.852409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.852409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.852409 (E_RNA)
where:
Base-Base interactions energy: -45.728
where: short stacking energy: -40.099
Base-Backbone interact. energy: -0.358
local terms energy: -74.766250
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -103.693592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.693592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.693592 (E_RNA)
where:
Base-Base interactions energy: -45.628
where: short stacking energy: -31.107
Base-Backbone interact. energy: -0.352
local terms energy: -57.713265
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: 3.627
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: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -301.285827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.285827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.285827 (E_RNA)
where:
Base-Base interactions energy: -186.807
where: short stacking energy: -99.035
Base-Backbone interact. energy: -0.161
local terms energy: -114.318309
where:
bonds (distance) C4'-P energy: -24.617
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -26.486
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: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -282.189175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.189175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.189175 (E_RNA)
where:
Base-Base interactions energy: -181.337
where: short stacking energy: -87.768
Base-Backbone interact. energy: 0.166
local terms energy: -101.018455
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: -19.743
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: 3, replica: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -256.437074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.437074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.437074 (E_RNA)
where:
Base-Base interactions energy: -157.647
where: short stacking energy: -80.354
Base-Backbone interact. energy: -0.160
local terms energy: -98.629777
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -237.965456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.965456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.965456 (E_RNA)
where:
Base-Base interactions energy: -138.085
where: short stacking energy: -80.779
Base-Backbone interact. energy: -0.371
local terms energy: -99.509073
where:
bonds (distance) C4'-P energy: -23.632
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -219.137414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.137414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.137414 (E_RNA)
where:
Base-Base interactions energy: -123.997
where: short stacking energy: -81.353
Base-Backbone interact. energy: -0.043
local terms energy: -95.097591
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -21.046
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -182.648002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.648002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.648002 (E_RNA)
where:
Base-Base interactions energy: -100.911
where: short stacking energy: -60.921
Base-Backbone interact. energy: -0.061
local terms energy: -81.676463
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -21.008
flat angles P-C4'-P energy: -11.890
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: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -168.764351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.764351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.764351 (E_RNA)
where:
Base-Base interactions energy: -91.044
where: short stacking energy: -51.247
Base-Backbone interact. energy: -0.982
local terms energy: -76.738559
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -127.505820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.505820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.505820 (E_RNA)
where:
Base-Base interactions energy: -63.591
where: short stacking energy: -42.297
Base-Backbone interact. energy: -0.065
local terms energy: -63.849708
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -103.610981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.610981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.610981 (E_RNA)
where:
Base-Base interactions energy: -35.206
where: short stacking energy: -32.101
Base-Backbone interact. energy: -0.401
local terms energy: -68.004218
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -108.980709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.980709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.980709 (E_RNA)
where:
Base-Base interactions energy: -50.117
where: short stacking energy: -33.962
Base-Backbone interact. energy: -0.119
local terms energy: -58.745164
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -3.178
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -283.750764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.750764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.750764 (E_RNA)
where:
Base-Base interactions energy: -177.746
where: short stacking energy: -87.654
Base-Backbone interact. energy: -1.189
local terms energy: -104.816170
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -25.782
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -305.342060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.342060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.342060 (E_RNA)
where:
Base-Base interactions energy: -200.224
where: short stacking energy: -106.388
Base-Backbone interact. energy: -0.412
local terms energy: -104.705887
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -30.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -288.814498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.814498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.814498 (E_RNA)
where:
Base-Base interactions energy: -169.886
where: short stacking energy: -99.102
Base-Backbone interact. energy: -0.052
local terms energy: -118.876507
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -31.695
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: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -245.641155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.641155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.641155 (E_RNA)
where:
Base-Base interactions energy: -145.711
where: short stacking energy: -81.522
Base-Backbone interact. energy: 0.983
local terms energy: -100.912873
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -19.092
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -222.107332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.107332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.107332 (E_RNA)
where:
Base-Base interactions energy: -136.157
where: short stacking energy: -77.215
Base-Backbone interact. energy: -0.142
local terms energy: -85.808411
where:
bonds (distance) C4'-P energy: -9.786
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -17.830
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: 6, replica: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -185.109052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.109052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.109052 (E_RNA)
where:
Base-Base interactions energy: -105.498
where: short stacking energy: -62.768
Base-Backbone interact. energy: 1.553
local terms energy: -81.164521
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -13.732
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: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -201.963585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.963585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.963585 (E_RNA)
where:
Base-Base interactions energy: -115.234
where: short stacking energy: -65.445
Base-Backbone interact. energy: -0.486
local terms energy: -86.244187
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -17.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -132.081583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.081583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.081583 (E_RNA)
where:
Base-Base interactions energy: -67.131
where: short stacking energy: -45.142
Base-Backbone interact. energy: -0.303
local terms energy: -64.648226
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -121.024298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.024298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.024298 (E_RNA)
where:
Base-Base interactions energy: -52.995
where: short stacking energy: -48.819
Base-Backbone interact. energy: -0.194
local terms energy: -67.835212
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -8.109
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: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -94.909080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.909080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.909080 (E_RNA)
where:
Base-Base interactions energy: -19.133
where: short stacking energy: -17.324
Base-Backbone interact. energy: -0.240
local terms energy: -75.535692
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: 0.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -301.193386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.193386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.193386 (E_RNA)
where:
Base-Base interactions energy: -183.947
where: short stacking energy: -100.172
Base-Backbone interact. energy: -0.462
local terms energy: -116.784152
where:
bonds (distance) C4'-P energy: -22.011
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -20.349
tors. eta vs tors. theta energy: -28.555
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: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -301.143592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.143592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.143592 (E_RNA)
where:
Base-Base interactions energy: -184.434
where: short stacking energy: -109.476
Base-Backbone interact. energy: -2.553
local terms energy: -114.156534
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -24.357
flat angles P-C4'-P energy: -18.925
tors. eta vs tors. theta energy: -32.406
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: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -291.603351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.603351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.603351 (E_RNA)
where:
Base-Base interactions energy: -186.156
where: short stacking energy: -101.650
Base-Backbone interact. energy: -0.343
local terms energy: -105.105001
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -26.656
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -26.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -247.604165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.604165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.604165 (E_RNA)
where:
Base-Base interactions energy: -145.901
where: short stacking energy: -95.587
Base-Backbone interact. energy: -0.036
local terms energy: -101.667634
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -29.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -246.814412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.814412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.814412 (E_RNA)
where:
Base-Base interactions energy: -141.214
where: short stacking energy: -85.488
Base-Backbone interact. energy: 0.799
local terms energy: -106.399816
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -17.443
tors. eta vs tors. theta energy: -22.539
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: 139
Temperature: 1.150000
Total energy: -219.607767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.607767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.607767 (E_RNA)
where:
Base-Base interactions energy: -127.156
where: short stacking energy: -69.974
Base-Backbone interact. energy: -0.131
local terms energy: -92.320424
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -182.221117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.221117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.221117 (E_RNA)
where:
Base-Base interactions energy: -98.351
where: short stacking energy: -54.586
Base-Backbone interact. energy: -0.234
local terms energy: -83.636060
where:
bonds (distance) C4'-P energy: -23.840
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -8.757
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: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -132.980918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.980918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.980918 (E_RNA)
where:
Base-Base interactions energy: -62.446
where: short stacking energy: -40.012
Base-Backbone interact. energy: 1.131
local terms energy: -71.665512
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -121.846069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.846069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.846069 (E_RNA)
where:
Base-Base interactions energy: -58.091
where: short stacking energy: -25.942
Base-Backbone interact. energy: -0.498
local terms energy: -63.257030
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -9.464
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: 10, replica: 5
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -110.083584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.083584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.083584 (E_RNA)
where:
Base-Base interactions energy: -25.616
where: short stacking energy: -25.616
Base-Backbone interact. energy: -0.825
local terms energy: -83.642653
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -2.438
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: 140
Temperature: 0.900000
Total energy: -293.179801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.179801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.179801 (E_RNA)
where:
Base-Base interactions energy: -179.240
where: short stacking energy: -102.334
Base-Backbone interact. energy: -0.163
local terms energy: -113.777069
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -24.384
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -18.683
tors. eta vs tors. theta energy: -25.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -302.769859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.769859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.769859 (E_RNA)
where:
Base-Base interactions energy: -188.859
where: short stacking energy: -102.002
Base-Backbone interact. energy: -0.481
local terms energy: -113.429324
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -29.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -271.452017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.452017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.452017 (E_RNA)
where:
Base-Base interactions energy: -180.778
where: short stacking energy: -79.046
Base-Backbone interact. energy: 0.188
local terms energy: -90.862325
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -25.271
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -18.040
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: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -245.482518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.482518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.482518 (E_RNA)
where:
Base-Base interactions energy: -148.706
where: short stacking energy: -94.544
Base-Backbone interact. energy: -0.089
local terms energy: -96.687205
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -22.744
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -24.486
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: 5, replica: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -247.814030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.814030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.814030 (E_RNA)
where:
Base-Base interactions energy: -151.573
where: short stacking energy: -97.107
Base-Backbone interact. energy: 0.975
local terms energy: -97.215718
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -27.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -214.300299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.300299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.300299 (E_RNA)
where:
Base-Base interactions energy: -131.600
where: short stacking energy: -67.750
Base-Backbone interact. energy: 0.833
local terms energy: -83.532837
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -10.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -128.008987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.008987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.008987 (E_RNA)
where:
Base-Base interactions energy: -45.143
where: short stacking energy: -44.283
Base-Backbone interact. energy: 0.980
local terms energy: -83.846665
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -11.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -187.953931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.953931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.953931 (E_RNA)
where:
Base-Base interactions energy: -115.989
where: short stacking energy: -52.919
Base-Backbone interact. energy: -0.210
local terms energy: -71.755702
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -8.379
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: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -114.487421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.487421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.487421 (E_RNA)
where:
Base-Base interactions energy: -52.517
where: short stacking energy: -24.178
Base-Backbone interact. energy: -0.352
local terms energy: -61.618138
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -25.048
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: 5.512
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: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -113.579637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.579637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.579637 (E_RNA)
where:
Base-Base interactions energy: -44.652
where: short stacking energy: -44.652
Base-Backbone interact. energy: 1.258
local terms energy: -70.185276
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -9.156
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: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -291.628357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.628357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.628357 (E_RNA)
where:
Base-Base interactions energy: -175.761
where: short stacking energy: -106.941
Base-Backbone interact. energy: -0.405
local terms energy: -115.462455
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -24.286
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -20.342
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: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -299.552163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.552163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.552163 (E_RNA)
where:
Base-Base interactions energy: -189.485
where: short stacking energy: -97.429
Base-Backbone interact. energy: -0.837
local terms energy: -109.230228
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -28.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -272.493942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.493942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.493942 (E_RNA)
where:
Base-Base interactions energy: -173.999
where: short stacking energy: -80.621
Base-Backbone interact. energy: -0.592
local terms energy: -97.903435
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -22.135
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: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -239.045670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.045670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.045670 (E_RNA)
where:
Base-Base interactions energy: -137.733
where: short stacking energy: -78.739
Base-Backbone interact. energy: -0.066
local terms energy: -101.246796
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -22.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -233.756860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.756860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.756860 (E_RNA)
where:
Base-Base interactions energy: -141.742
where: short stacking energy: -77.775
Base-Backbone interact. energy: 0.633
local terms energy: -92.647451
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -22.537
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: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -220.306487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.306487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.306487 (E_RNA)
where:
Base-Base interactions energy: -122.762
where: short stacking energy: -72.939
Base-Backbone interact. energy: -0.100
local terms energy: -97.444497
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -16.553
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: 141
Temperature: 1.200000
Total energy: -135.669896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.669896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.669896 (E_RNA)
where:
Base-Base interactions energy: -54.274
where: short stacking energy: -46.409
Base-Backbone interact. energy: -0.036
local terms energy: -81.359378
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -19.938
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -177.332720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.332720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.332720 (E_RNA)
where:
Base-Base interactions energy: -102.349
where: short stacking energy: -55.985
Base-Backbone interact. energy: -0.102
local terms energy: -74.882396
where:
bonds (distance) C4'-P energy: -21.107
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -11.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -106.484492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.484492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.484492 (E_RNA)
where:
Base-Base interactions energy: -46.285
where: short stacking energy: -41.932
Base-Backbone interact. energy: 1.200
local terms energy: -61.399185
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -2.161
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: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -111.473962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.473962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.473962 (E_RNA)
where:
Base-Base interactions energy: -30.951
where: short stacking energy: -29.011
Base-Backbone interact. energy: -0.204
local terms energy: -80.319252
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -23.298
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -301.388244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.388244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.388244 (E_RNA)
where:
Base-Base interactions energy: -191.781
where: short stacking energy: -92.377
Base-Backbone interact. energy: -0.187
local terms energy: -109.419700
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -19.247
flat angles C4'-P-C4' energy: -26.395
flat angles P-C4'-P energy: -16.954
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: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -304.913833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.913833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.913833 (E_RNA)
where:
Base-Base interactions energy: -186.142
where: short stacking energy: -106.042
Base-Backbone interact. energy: -0.050
local terms energy: -118.721720
where:
bonds (distance) C4'-P energy: -22.319
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -33.578
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: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -247.679093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.679093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.679093 (E_RNA)
where:
Base-Base interactions energy: -138.818
where: short stacking energy: -85.856
Base-Backbone interact. energy: -0.465
local terms energy: -108.395679
where:
bonds (distance) C4'-P energy: -22.621
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -25.027
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -21.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -263.851144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.851144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.851144 (E_RNA)
where:
Base-Base interactions energy: -164.460
where: short stacking energy: -78.462
Base-Backbone interact. energy: 0.236
local terms energy: -99.627083
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -25.108
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: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -237.316070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.316070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.316070 (E_RNA)
where:
Base-Base interactions energy: -143.316
where: short stacking energy: -75.794
Base-Backbone interact. energy: 0.101
local terms energy: -94.100876
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -248.649891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.649891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.649891 (E_RNA)
where:
Base-Base interactions energy: -149.470
where: short stacking energy: -74.050
Base-Backbone interact. energy: -0.254
local terms energy: -98.925924
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -17.807
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -181.903413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.903413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.903413 (E_RNA)
where:
Base-Base interactions energy: -106.878
where: short stacking energy: -50.735
Base-Backbone interact. energy: 0.908
local terms energy: -75.933351
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -11.550
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: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -116.107238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.107238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.107238 (E_RNA)
where:
Base-Base interactions energy: -51.555
where: short stacking energy: -37.427
Base-Backbone interact. energy: -0.667
local terms energy: -63.884835
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: 0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -103.617555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.617555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.617555 (E_RNA)
where:
Base-Base interactions energy: -35.523
where: short stacking energy: -35.523
Base-Backbone interact. energy: -0.327
local terms energy: -67.767565
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -3.462
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: 142
Temperature: 1.350000
Total energy: -106.978982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.978982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.978982 (E_RNA)
where:
Base-Base interactions energy: -53.454
where: short stacking energy: -37.820
Base-Backbone interact. energy: -0.133
local terms energy: -53.391613
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: 0.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -311.516794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.516794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.516794 (E_RNA)
where:
Base-Base interactions energy: -199.624
where: short stacking energy: -104.287
Base-Backbone interact. energy: -0.408
local terms energy: -111.484774
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -24.740
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -29.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -308.075049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.075049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.075049 (E_RNA)
where:
Base-Base interactions energy: -190.876
where: short stacking energy: -97.029
Base-Backbone interact. energy: -1.013
local terms energy: -116.185748
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -30.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -258.834532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.834532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.834532 (E_RNA)
where:
Base-Base interactions energy: -154.161
where: short stacking energy: -93.014
Base-Backbone interact. energy: -0.004
local terms energy: -104.670092
where:
bonds (distance) C4'-P energy: -20.965
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -29.836
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: 9
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -257.457813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.457813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.457813 (E_RNA)
where:
Base-Base interactions energy: -158.649
where: short stacking energy: -73.819
Base-Backbone interact. energy: -0.386
local terms energy: -98.422627
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -19.086
tors. eta vs tors. theta energy: -20.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -232.367932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.367932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.367932 (E_RNA)
where:
Base-Base interactions energy: -137.445
where: short stacking energy: -81.259
Base-Backbone interact. energy: -0.109
local terms energy: -94.813918
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -21.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -250.940584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.940584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.940584 (E_RNA)
where:
Base-Base interactions energy: -164.911
where: short stacking energy: -83.867
Base-Backbone interact. energy: -0.205
local terms energy: -85.824868
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -18.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -202.706491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.706491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.706491 (E_RNA)
where:
Base-Base interactions energy: -115.937
where: short stacking energy: -56.084
Base-Backbone interact. energy: -0.429
local terms energy: -86.340639
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -12.342
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: 143
Temperature: 1.250000
Total energy: -129.766398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.766398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.766398 (E_RNA)
where:
Base-Base interactions energy: -61.239
where: short stacking energy: -39.003
Base-Backbone interact. energy: -1.915
local terms energy: -66.612680
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -119.899396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.899396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.899396 (E_RNA)
where:
Base-Base interactions energy: -41.524
where: short stacking energy: -30.334
Base-Backbone interact. energy: -0.252
local terms energy: -78.123851
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -12.659
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: 3
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -102.995475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.995475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.995475 (E_RNA)
where:
Base-Base interactions energy: -26.736
where: short stacking energy: -25.816
Base-Backbone interact. energy: -0.055
local terms energy: -76.204664
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -19.419
tors. eta vs tors. theta energy: 0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -307.885878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.885878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.885878 (E_RNA)
where:
Base-Base interactions energy: -187.662
where: short stacking energy: -102.028
Base-Backbone interact. energy: -0.035
local terms energy: -120.188526
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -29.805
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: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -314.800179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.800179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.800179 (E_RNA)
where:
Base-Base interactions energy: -194.146
where: short stacking energy: -109.291
Base-Backbone interact. energy: -0.850
local terms energy: -119.804679
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -22.702
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -31.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -280.168399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.168399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.168399 (E_RNA)
where:
Base-Base interactions energy: -176.776
where: short stacking energy: -92.192
Base-Backbone interact. energy: -0.254
local terms energy: -103.138593
where:
bonds (distance) C4'-P energy: -24.741
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -20.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -261.756115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.756115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.756115 (E_RNA)
where:
Base-Base interactions energy: -158.398
where: short stacking energy: -98.207
Base-Backbone interact. energy: -0.001
local terms energy: -103.357423
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -31.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -248.734617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.734617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.734617 (E_RNA)
where:
Base-Base interactions energy: -152.071
where: short stacking energy: -80.054
Base-Backbone interact. energy: -0.231
local terms energy: -96.432662
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -24.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -230.369184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.369184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.369184 (E_RNA)
where:
Base-Base interactions energy: -140.072
where: short stacking energy: -72.050
Base-Backbone interact. energy: -0.086
local terms energy: -90.210353
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -13.739
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: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -140.486725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.486725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.486725 (E_RNA)
where:
Base-Base interactions energy: -69.340
where: short stacking energy: -54.300
Base-Backbone interact. energy: -0.137
local terms energy: -71.010468
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -9.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -178.735217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.735217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.735217 (E_RNA)
where:
Base-Base interactions energy: -97.453
where: short stacking energy: -53.928
Base-Backbone interact. energy: -0.071
local terms energy: -81.211122
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -21.541
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -14.264
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: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -114.042668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.042668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.042668 (E_RNA)
where:
Base-Base interactions energy: -45.828
where: short stacking energy: -33.474
Base-Backbone interact. energy: 1.773
local terms energy: -69.987694
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -22.681
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: 1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -103.994881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.994881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.994881 (E_RNA)
where:
Base-Base interactions energy: -39.150
where: short stacking energy: -32.767
Base-Backbone interact. energy: -0.139
local terms energy: -64.705141
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -308.751870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.751870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.751870 (E_RNA)
where:
Base-Base interactions energy: -186.033
where: short stacking energy: -94.969
Base-Backbone interact. energy: -0.007
local terms energy: -122.712067
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -26.374
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -28.455
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: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -318.737903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.737903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.737903 (E_RNA)
where:
Base-Base interactions energy: -202.236
where: short stacking energy: -106.944
Base-Backbone interact. energy: -0.145
local terms energy: -116.357758
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -22.531
tors. eta vs tors. theta energy: -32.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -288.184748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.184748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.184748 (E_RNA)
where:
Base-Base interactions energy: -182.370
where: short stacking energy: -90.621
Base-Backbone interact. energy: 1.030
local terms energy: -106.844692
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: -24.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -245.771703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.771703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.771703 (E_RNA)
where:
Base-Base interactions energy: -142.024
where: short stacking energy: -82.303
Base-Backbone interact. energy: -0.199
local terms energy: -103.548252
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -209.429380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.429380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.429380 (E_RNA)
where:
Base-Base interactions energy: -121.966
where: short stacking energy: -66.517
Base-Backbone interact. energy: -0.304
local terms energy: -87.159968
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -13.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -202.163493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.163493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.163493 (E_RNA)
where:
Base-Base interactions energy: -110.157
where: short stacking energy: -68.374
Base-Backbone interact. energy: 0.012
local terms energy: -92.018467
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -18.909
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -125.250924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.250924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.250924 (E_RNA)
where:
Base-Base interactions energy: -49.308
where: short stacking energy: -39.656
Base-Backbone interact. energy: 0.113
local terms energy: -76.055756
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -156.477876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.477876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.477876 (E_RNA)
where:
Base-Base interactions energy: -75.526
where: short stacking energy: -44.237
Base-Backbone interact. energy: -0.378
local terms energy: -80.574203
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -107.933808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.933808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.933808 (E_RNA)
where:
Base-Base interactions energy: -38.572
where: short stacking energy: -26.132
Base-Backbone interact. energy: -0.346
local terms energy: -69.015161
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: 0.596
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: 10, replica: 3
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -110.141892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.141892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.141892 (E_RNA)
where:
Base-Base interactions energy: -34.769
where: short stacking energy: -34.869
Base-Backbone interact. energy: -0.650
local terms energy: -74.723693
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -18.181
tors. eta vs tors. theta energy: -4.322
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: 146
Temperature: 0.900000
Total energy: -328.901804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.901804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.901804 (E_RNA)
where:
Base-Base interactions energy: -207.893
where: short stacking energy: -107.151
Base-Backbone interact. energy: 0.509
local terms energy: -121.517370
where:
bonds (distance) C4'-P energy: -23.189
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -35.587
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: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -292.618661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.618661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.618661 (E_RNA)
where:
Base-Base interactions energy: -179.901
where: short stacking energy: -100.989
Base-Backbone interact. energy: -0.011
local terms energy: -112.707086
where:
bonds (distance) C4'-P energy: -23.693
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -17.736
tors. eta vs tors. theta energy: -29.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -295.950934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.950934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.950934 (E_RNA)
where:
Base-Base interactions energy: -189.978
where: short stacking energy: -102.135
Base-Backbone interact. energy: -1.843
local terms energy: -104.128955
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -30.032
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: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -238.590215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.590215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.590215 (E_RNA)
where:
Base-Base interactions energy: -134.522
where: short stacking energy: -80.495
Base-Backbone interact. energy: -1.097
local terms energy: -102.970990
where:
bonds (distance) C4'-P energy: -24.666
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -21.014
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -234.158804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.158804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.158804 (E_RNA)
where:
Base-Base interactions energy: -138.563
where: short stacking energy: -72.540
Base-Backbone interact. energy: -0.245
local terms energy: -95.350229
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -191.389454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.389454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.389454 (E_RNA)
where:
Base-Base interactions energy: -118.854
where: short stacking energy: -50.535
Base-Backbone interact. energy: -0.489
local terms energy: -72.046614
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -11.621
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: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -169.223058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.223058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.223058 (E_RNA)
where:
Base-Base interactions energy: -81.415
where: short stacking energy: -43.178
Base-Backbone interact. energy: -0.048
local terms energy: -87.759552
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -24.291
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -7.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -109.307096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.307096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.307096 (E_RNA)
where:
Base-Base interactions energy: -43.936
where: short stacking energy: -43.936
Base-Backbone interact. energy: -0.422
local terms energy: -64.949481
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -107.722440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.722440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.722440 (E_RNA)
where:
Base-Base interactions energy: -41.939
where: short stacking energy: -40.746
Base-Backbone interact. energy: -0.231
local terms energy: -65.552776
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: 1.752
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: 10, replica: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -105.912809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.912809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.912809 (E_RNA)
where:
Base-Base interactions energy: -40.705
where: short stacking energy: -38.545
Base-Backbone interact. energy: -0.441
local terms energy: -64.766169
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -322.025896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.025896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.025896 (E_RNA)
where:
Base-Base interactions energy: -203.945
where: short stacking energy: -96.468
Base-Backbone interact. energy: -2.535
local terms energy: -115.546224
where:
bonds (distance) C4'-P energy: -24.555
bonds (distance) P-C4' energy: -20.956
flat angles C4'-P-C4' energy: -26.686
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -30.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -293.597729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.597729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.597729 (E_RNA)
where:
Base-Base interactions energy: -186.047
where: short stacking energy: -89.564
Base-Backbone interact. energy: -0.782
local terms energy: -106.768099
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -16.439
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: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -281.331945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.331945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.331945 (E_RNA)
where:
Base-Base interactions energy: -172.873
where: short stacking energy: -106.517
Base-Backbone interact. energy: -0.040
local terms energy: -108.418482
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -25.790
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -28.002
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: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -247.393296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.393296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.393296 (E_RNA)
where:
Base-Base interactions energy: -145.306
where: short stacking energy: -80.795
Base-Backbone interact. energy: -0.482
local terms energy: -101.605773
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -23.856
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -267.153000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.153000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.153000 (E_RNA)
where:
Base-Base interactions energy: -158.903
where: short stacking energy: -84.211
Base-Backbone interact. energy: -0.233
local terms energy: -108.017186
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -25.446
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -27.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -214.102573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.102573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.102573 (E_RNA)
where:
Base-Base interactions energy: -137.442
where: short stacking energy: -71.780
Base-Backbone interact. energy: -0.241
local terms energy: -76.420192
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -14.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -138.651041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.651041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.651041 (E_RNA)
where:
Base-Base interactions energy: -66.770
where: short stacking energy: -42.621
Base-Backbone interact. energy: 1.690
local terms energy: -73.570906
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -13.877
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: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -132.767398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.767398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.767398 (E_RNA)
where:
Base-Base interactions energy: -50.937
where: short stacking energy: -37.043
Base-Backbone interact. energy: 0.578
local terms energy: -82.408335
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -115.923095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.923095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.923095 (E_RNA)
where:
Base-Base interactions energy: -47.211
where: short stacking energy: -40.204
Base-Backbone interact. energy: -0.281
local terms energy: -68.431476
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -97.506736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.506736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.506736 (E_RNA)
where:
Base-Base interactions energy: -41.240
where: short stacking energy: -29.157
Base-Backbone interact. energy: -0.217
local terms energy: -56.049874
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: 0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -321.239158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.239158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.239158 (E_RNA)
where:
Base-Base interactions energy: -204.275
where: short stacking energy: -109.657
Base-Backbone interact. energy: -2.223
local terms energy: -114.741388
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -32.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -295.825468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.825468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.825468 (E_RNA)
where:
Base-Base interactions energy: -194.899
where: short stacking energy: -95.395
Base-Backbone interact. energy: -0.710
local terms energy: -100.216029
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -25.743
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -265.685927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.685927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.685927 (E_RNA)
where:
Base-Base interactions energy: -159.651
where: short stacking energy: -87.884
Base-Backbone interact. energy: -0.278
local terms energy: -105.756118
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -26.870
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -24.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -273.739981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.739981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.739981 (E_RNA)
where:
Base-Base interactions energy: -165.227
where: short stacking energy: -96.881
Base-Backbone interact. energy: -0.002
local terms energy: -108.510327
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -22.769
flat angles C4'-P-C4' energy: -26.752
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -25.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -270.449296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.449296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.449296 (E_RNA)
where:
Base-Base interactions energy: -173.932
where: short stacking energy: -85.223
Base-Backbone interact. energy: -0.287
local terms energy: -96.230701
where:
bonds (distance) C4'-P energy: -18.899
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -25.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -190.698262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.698262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.698262 (E_RNA)
where:
Base-Base interactions energy: -102.762
where: short stacking energy: -71.684
Base-Backbone interact. energy: -0.360
local terms energy: -87.575612
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -23.616
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -132.460318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.460318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.460318 (E_RNA)
where:
Base-Base interactions energy: -61.117
where: short stacking energy: -32.893
Base-Backbone interact. energy: -0.412
local terms energy: -70.930793
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -120.484475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.484475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.484475 (E_RNA)
where:
Base-Base interactions energy: -44.518
where: short stacking energy: -35.667
Base-Backbone interact. energy: 0.135
local terms energy: -76.101032
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -106.831481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.831481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.831481 (E_RNA)
where:
Base-Base interactions energy: -50.858
where: short stacking energy: -41.114
Base-Backbone interact. energy: -0.394
local terms energy: -55.579397
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -1.744
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: 148
Temperature: 1.350000
Total energy: -113.025565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.025565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.025565 (E_RNA)
where:
Base-Base interactions energy: -50.235
where: short stacking energy: -36.274
Base-Backbone interact. energy: 0.136
local terms energy: -62.926427
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -12.326
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: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -326.321573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.321573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.321573 (E_RNA)
where:
Base-Base interactions energy: -204.342
where: short stacking energy: -103.449
Base-Backbone interact. energy: -0.821
local terms energy: -121.159532
where:
bonds (distance) C4'-P energy: -21.599
bonds (distance) P-C4' energy: -25.209
flat angles C4'-P-C4' energy: -25.843
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -31.676
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: 2, replica: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -298.081286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.081286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.081286 (E_RNA)
where:
Base-Base interactions energy: -192.179
where: short stacking energy: -95.722
Base-Backbone interact. energy: -0.064
local terms energy: -105.837651
where:
bonds (distance) C4'-P energy: -24.413
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -23.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -246.887188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.887188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.887188 (E_RNA)
where:
Base-Base interactions energy: -152.243
where: short stacking energy: -77.437
Base-Backbone interact. energy: 0.176
local terms energy: -94.819967
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -18.907
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: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -269.390154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.390154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.390154 (E_RNA)
where:
Base-Base interactions energy: -173.755
where: short stacking energy: -77.223
Base-Backbone interact. energy: -0.280
local terms energy: -95.355018
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -256.936630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.936630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.936630 (E_RNA)
where:
Base-Base interactions energy: -157.382
where: short stacking energy: -88.173
Base-Backbone interact. energy: 0.293
local terms energy: -99.847941
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -22.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -186.302370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.302370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.302370 (E_RNA)
where:
Base-Base interactions energy: -102.095
where: short stacking energy: -52.144
Base-Backbone interact. energy: -0.495
local terms energy: -83.712622
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -6.532
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: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -123.578804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.578804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.578804 (E_RNA)
where:
Base-Base interactions energy: -47.114
where: short stacking energy: -45.462
Base-Backbone interact. energy: -0.204
local terms energy: -76.261314
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -118.854739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.854739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.854739 (E_RNA)
where:
Base-Base interactions energy: -50.657
where: short stacking energy: -50.657
Base-Backbone interact. energy: -1.041
local terms energy: -67.156833
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -20.938
flat angles C4'-P-C4' energy: -7.570
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -135.466648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.466648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.466648 (E_RNA)
where:
Base-Base interactions energy: -50.734
where: short stacking energy: -49.242
Base-Backbone interact. energy: -0.200
local terms energy: -84.532257
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -23.708
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -109.846050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.846050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.846050 (E_RNA)
where:
Base-Base interactions energy: -44.501
where: short stacking energy: -37.516
Base-Backbone interact. energy: 0.028
local terms energy: -65.373339
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -326.174219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.174219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.174219 (E_RNA)
where:
Base-Base interactions energy: -205.748
where: short stacking energy: -111.060
Base-Backbone interact. energy: -0.855
local terms energy: -119.570909
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -32.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -300.859300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.859300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.859300 (E_RNA)
where:
Base-Base interactions energy: -193.150
where: short stacking energy: -98.380
Base-Backbone interact. energy: 0.439
local terms energy: -108.148086
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -25.811
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -29.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -290.125377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.125377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.125377 (E_RNA)
where:
Base-Base interactions energy: -191.488
where: short stacking energy: -88.159
Base-Backbone interact. energy: -0.037
local terms energy: -98.600987
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -25.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -254.717292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.717292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.717292 (E_RNA)
where:
Base-Base interactions energy: -148.606
where: short stacking energy: -91.182
Base-Backbone interact. energy: -0.244
local terms energy: -105.866998
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -24.934
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -27.667
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: 150
Temperature: 1.100000
Total energy: -246.730794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.730794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.730794 (E_RNA)
where:
Base-Base interactions energy: -149.831
where: short stacking energy: -83.510
Base-Backbone interact. energy: -0.056
local terms energy: -96.843576
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -20.941
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -24.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -183.252235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.252235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.252235 (E_RNA)
where:
Base-Base interactions energy: -89.015
where: short stacking energy: -54.453
Base-Backbone interact. energy: -0.332
local terms energy: -93.904967
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -21.152
flat angles C4'-P-C4' energy: -23.440
flat angles P-C4'-P energy: -17.914
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: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -119.152258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.152258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.152258 (E_RNA)
where:
Base-Base interactions energy: -41.920
where: short stacking energy: -38.639
Base-Backbone interact. energy: -0.315
local terms energy: -76.917703
where:
bonds (distance) C4'-P energy: -22.633
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -122.036251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.036251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.036251 (E_RNA)
where:
Base-Base interactions energy: -46.984
where: short stacking energy: -45.052
Base-Backbone interact. energy: -0.033
local terms energy: -75.019703
where:
bonds (distance) C4'-P energy: -23.208
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -108.096594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.096594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.096594 (E_RNA)
where:
Base-Base interactions energy: -40.495
where: short stacking energy: -38.427
Base-Backbone interact. energy: -0.592
local terms energy: -67.009756
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -114.009870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.009870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.009870 (E_RNA)
where:
Base-Base interactions energy: -51.095
where: short stacking energy: -51.095
Base-Backbone interact. energy: -0.096
local terms energy: -62.818832
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -8.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -328.200825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.200825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.200825 (E_RNA)
where:
Base-Base interactions energy: -216.113
where: short stacking energy: -104.672
Base-Backbone interact. energy: -0.929
local terms energy: -111.158783
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: -32.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -296.877456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.877456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.877456 (E_RNA)
where:
Base-Base interactions energy: -187.244
where: short stacking energy: -93.575
Base-Backbone interact. energy: -0.367
local terms energy: -109.266728
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -27.573
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -25.918
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: 3, replica: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -264.068460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.068460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.068460 (E_RNA)
where:
Base-Base interactions energy: -164.094
where: short stacking energy: -86.630
Base-Backbone interact. energy: 0.274
local terms energy: -100.248382
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -22.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -248.678951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.678951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.678951 (E_RNA)
where:
Base-Base interactions energy: -148.501
where: short stacking energy: -79.041
Base-Backbone interact. energy: -0.080
local terms energy: -100.098256
where:
bonds (distance) C4'-P energy: -22.497
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -22.351
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: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -235.136649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.136649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.136649 (E_RNA)
where:
Base-Base interactions energy: -144.776
where: short stacking energy: -78.195
Base-Backbone interact. energy: -0.499
local terms energy: -89.861317
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -191.425826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.425826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.425826 (E_RNA)
where:
Base-Base interactions energy: -99.860
where: short stacking energy: -70.183
Base-Backbone interact. energy: -0.123
local terms energy: -91.443021
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -22.354
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -14.545
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: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -131.140831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.140831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.140831 (E_RNA)
where:
Base-Base interactions energy: -51.457
where: short stacking energy: -44.400
Base-Backbone interact. energy: 0.877
local terms energy: -80.561417
where:
bonds (distance) C4'-P energy: -21.989
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -7.988
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: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -130.016255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.016255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.016255 (E_RNA)
where:
Base-Base interactions energy: -60.006
where: short stacking energy: -58.730
Base-Backbone interact. energy: -0.839
local terms energy: -69.171296
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -11.992
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: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -115.274497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.274497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.274497 (E_RNA)
where:
Base-Base interactions energy: -33.740
where: short stacking energy: -32.696
Base-Backbone interact. energy: -0.288
local terms energy: -81.246217
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -112.064188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.064188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.064188 (E_RNA)
where:
Base-Base interactions energy: -42.369
where: short stacking energy: -41.475
Base-Backbone interact. energy: -0.119
local terms energy: -69.576079
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -3.734
tors. eta vs tors. theta energy: -8.104
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: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -303.808010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.808010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.808010 (E_RNA)
where:
Base-Base interactions energy: -197.206
where: short stacking energy: -91.381
Base-Backbone interact. energy: 1.017
local terms energy: -107.618394
where:
bonds (distance) C4'-P energy: -22.633
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -17.959
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: 152
Temperature: 0.950000
Total energy: -330.577098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.577098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.577098 (E_RNA)
where:
Base-Base interactions energy: -221.129
where: short stacking energy: -116.783
Base-Backbone interact. energy: -0.501
local terms energy: -108.946881
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -33.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -276.814251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.814251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.814251 (E_RNA)
where:
Base-Base interactions energy: -179.023
where: short stacking energy: -80.866
Base-Backbone interact. energy: -0.369
local terms energy: -97.422715
where:
bonds (distance) C4'-P energy: -22.941
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -21.943
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -276.620929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.620929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.620929 (E_RNA)
where:
Base-Base interactions energy: -173.640
where: short stacking energy: -88.412
Base-Backbone interact. energy: -0.102
local terms energy: -102.878893
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -29.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -248.921455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.921455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.921455 (E_RNA)
where:
Base-Base interactions energy: -140.988
where: short stacking energy: -78.873
Base-Backbone interact. energy: -2.344
local terms energy: -105.589639
where:
bonds (distance) C4'-P energy: -25.713
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -180.531148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.531148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.531148 (E_RNA)
where:
Base-Base interactions energy: -94.661
where: short stacking energy: -59.898
Base-Backbone interact. energy: -0.101
local terms energy: -85.769724
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -119.765117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.765117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.765117 (E_RNA)
where:
Base-Base interactions energy: -37.066
where: short stacking energy: -32.453
Base-Backbone interact. energy: -0.457
local terms energy: -82.241790
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -24.304
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: 1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -128.538771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.538771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.538771 (E_RNA)
where:
Base-Base interactions energy: -51.039
where: short stacking energy: -44.810
Base-Backbone interact. energy: -0.134
local terms energy: -77.365552
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -18.082
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: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -117.088206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.088206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.088206 (E_RNA)
where:
Base-Base interactions energy: -42.112
where: short stacking energy: -40.928
Base-Backbone interact. energy: 0.275
local terms energy: -75.251569
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -107.928994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.928994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.928994 (E_RNA)
where:
Base-Base interactions energy: -44.004
where: short stacking energy: -38.461
Base-Backbone interact. energy: -0.066
local terms energy: -63.859602
where:
bonds (distance) C4'-P energy: -7.738
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -305.175409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.175409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.175409 (E_RNA)
where:
Base-Base interactions energy: -192.013
where: short stacking energy: -96.919
Base-Backbone interact. energy: -0.288
local terms energy: -112.873938
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -28.684
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: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -309.800980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.800980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.800980 (E_RNA)
where:
Base-Base interactions energy: -194.790
where: short stacking energy: -106.128
Base-Backbone interact. energy: -0.707
local terms energy: -114.303700
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -19.829
tors. eta vs tors. theta energy: -31.607
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: 153
Temperature: 1.000000
Total energy: -290.076572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.076572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.076572 (E_RNA)
where:
Base-Base interactions energy: -186.695
where: short stacking energy: -93.831
Base-Backbone interact. energy: -0.333
local terms energy: -103.047977
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -24.899
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: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -282.222161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.222161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.222161 (E_RNA)
where:
Base-Base interactions energy: -168.065
where: short stacking energy: -87.728
Base-Backbone interact. energy: -1.502
local terms energy: -112.654831
where:
bonds (distance) C4'-P energy: -24.960
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -24.705
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -24.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -248.872842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.872842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.872842 (E_RNA)
where:
Base-Base interactions energy: -146.762
where: short stacking energy: -88.685
Base-Backbone interact. energy: -0.924
local terms energy: -101.186658
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -25.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -186.792428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.792428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.792428 (E_RNA)
where:
Base-Base interactions energy: -88.798
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.331
local terms energy: -97.663712
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -15.514
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: 7, replica: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -122.035524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.035524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.035524 (E_RNA)
where:
Base-Base interactions energy: -33.802
where: short stacking energy: -33.325
Base-Backbone interact. energy: -0.117
local terms energy: -88.116520
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -3.855
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: 8, replica: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -124.126485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.126485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.126485 (E_RNA)
where:
Base-Base interactions energy: -53.796
where: short stacking energy: -48.694
Base-Backbone interact. energy: 0.557
local terms energy: -70.888044
where:
bonds (distance) C4'-P energy: -25.229
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -103.033289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.033289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.033289 (E_RNA)
where:
Base-Base interactions energy: -38.362
where: short stacking energy: -26.905
Base-Backbone interact. energy: 1.221
local terms energy: -65.891905
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: 5.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -107.064535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.064535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.064535 (E_RNA)
where:
Base-Base interactions energy: -38.160
where: short stacking energy: -38.160
Base-Backbone interact. energy: 0.270
local terms energy: -69.173875
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -6.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -325.677537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.677537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.677537 (E_RNA)
where:
Base-Base interactions energy: -210.059
where: short stacking energy: -112.597
Base-Backbone interact. energy: -0.469
local terms energy: -115.149726
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -16.789
tors. eta vs tors. theta energy: -34.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -307.496908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.496908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.496908 (E_RNA)
where:
Base-Base interactions energy: -192.142
where: short stacking energy: -97.684
Base-Backbone interact. energy: -0.175
local terms energy: -115.180177
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -22.726
flat angles C4'-P-C4' energy: -22.742
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -29.132
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: 154
Temperature: 1.000000
Total energy: -268.189609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.189609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.189609 (E_RNA)
where:
Base-Base interactions energy: -172.973
where: short stacking energy: -91.602
Base-Backbone interact. energy: 0.166
local terms energy: -95.382958
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -20.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -247.116258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.116258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.116258 (E_RNA)
where:
Base-Base interactions energy: -143.756
where: short stacking energy: -80.185
Base-Backbone interact. energy: -0.151
local terms energy: -103.208984
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -21.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -216.567819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.567819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.567819 (E_RNA)
where:
Base-Base interactions energy: -124.360
where: short stacking energy: -65.154
Base-Backbone interact. energy: 0.167
local terms energy: -92.374516
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -185.888877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.888877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.888877 (E_RNA)
where:
Base-Base interactions energy: -101.061
where: short stacking energy: -53.339
Base-Backbone interact. energy: -0.326
local terms energy: -84.501937
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -21.990
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -7.295
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: 7, replica: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -118.633952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.633952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.633952 (E_RNA)
where:
Base-Base interactions energy: -42.992
where: short stacking energy: -42.079
Base-Backbone interact. energy: -0.153
local terms energy: -75.489021
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -114.251987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.251987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.251987 (E_RNA)
where:
Base-Base interactions energy: -44.220
where: short stacking energy: -29.750
Base-Backbone interact. energy: -0.082
local terms energy: -69.950074
where:
bonds (distance) C4'-P energy: -21.126
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -101.496099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.496099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.496099 (E_RNA)
where:
Base-Base interactions energy: -32.133
where: short stacking energy: -30.310
Base-Backbone interact. energy: 0.550
local terms energy: -69.912411
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -24.100
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -97.466904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.466904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.466904 (E_RNA)
where:
Base-Base interactions energy: -27.640
where: short stacking energy: -27.070
Base-Backbone interact. energy: -0.238
local terms energy: -69.588189
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -3.747
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -330.186740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.186740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.186740 (E_RNA)
where:
Base-Base interactions energy: -203.960
where: short stacking energy: -112.923
Base-Backbone interact. energy: -0.444
local terms energy: -125.782956
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -24.480
flat angles C4'-P-C4' energy: -25.973
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -36.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -315.097630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.097630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.097630 (E_RNA)
where:
Base-Base interactions energy: -193.892
where: short stacking energy: -104.419
Base-Backbone interact. energy: 0.702
local terms energy: -121.907243
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -24.525
flat angles C4'-P-C4' energy: -22.294
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -32.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -275.002013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.002013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.002013 (E_RNA)
where:
Base-Base interactions energy: -173.630
where: short stacking energy: -83.334
Base-Backbone interact. energy: 1.047
local terms energy: -102.419270
where:
bonds (distance) C4'-P energy: -23.978
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -23.117
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -22.514
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: 155
Temperature: 1.050000
Total energy: -235.929621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.929621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.929621 (E_RNA)
where:
Base-Base interactions energy: -133.705
where: short stacking energy: -71.030
Base-Backbone interact. energy: -0.038
local terms energy: -102.187087
where:
bonds (distance) C4'-P energy: -24.177
bonds (distance) P-C4' energy: -23.532
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -212.823186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.823186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.823186 (E_RNA)
where:
Base-Base interactions energy: -118.196
where: short stacking energy: -66.047
Base-Backbone interact. energy: -0.157
local terms energy: -94.470465
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -190.332960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.332960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.332960 (E_RNA)
where:
Base-Base interactions energy: -107.207
where: short stacking energy: -67.900
Base-Backbone interact. energy: -0.312
local terms energy: -82.813794
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -14.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -128.111176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.111176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.111176 (E_RNA)
where:
Base-Base interactions energy: -56.225
where: short stacking energy: -54.232
Base-Backbone interact. energy: 2.325
local terms energy: -74.211737
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -14.555
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: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -116.125437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.125437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.125437 (E_RNA)
where:
Base-Base interactions energy: -45.031
where: short stacking energy: -40.689
Base-Backbone interact. energy: -0.268
local terms energy: -70.826716
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -23.515
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -7.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -107.600544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.600544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.600544 (E_RNA)
where:
Base-Base interactions energy: -36.482
where: short stacking energy: -34.652
Base-Backbone interact. energy: -0.660
local terms energy: -70.458494
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: 0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -102.641770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.641770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.641770 (E_RNA)
where:
Base-Base interactions energy: -34.460
where: short stacking energy: -34.444
Base-Backbone interact. energy: -1.612
local terms energy: -66.569676
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: 4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -323.653962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.653962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.653962 (E_RNA)
where:
Base-Base interactions energy: -208.009
where: short stacking energy: -107.968
Base-Backbone interact. energy: -0.932
local terms energy: -114.712572
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -34.005
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: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -312.256630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.256630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.256630 (E_RNA)
where:
Base-Base interactions energy: -197.803
where: short stacking energy: -99.122
Base-Backbone interact. energy: -0.011
local terms energy: -114.443227
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -24.853
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -29.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -304.178475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.178475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.178475 (E_RNA)
where:
Base-Base interactions energy: -196.738
where: short stacking energy: -103.446
Base-Backbone interact. energy: -0.745
local terms energy: -106.695323
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -24.219
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -27.457
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: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -250.910292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.910292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.910292 (E_RNA)
where:
Base-Base interactions energy: -151.835
where: short stacking energy: -81.743
Base-Backbone interact. energy: -0.102
local terms energy: -98.973485
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -22.712
flat angles P-C4'-P energy: -11.419
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: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -232.551396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.551396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.551396 (E_RNA)
where:
Base-Base interactions energy: -138.478
where: short stacking energy: -72.432
Base-Backbone interact. energy: -0.059
local terms energy: -94.014624
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -183.207099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.207099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.207099 (E_RNA)
where:
Base-Base interactions energy: -95.686
where: short stacking energy: -53.353
Base-Backbone interact. energy: -0.430
local terms energy: -87.090966
where:
bonds (distance) C4'-P energy: -22.203
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -22.259
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -7.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -135.007222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.007222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.007222 (E_RNA)
where:
Base-Base interactions energy: -54.570
where: short stacking energy: -54.570
Base-Backbone interact. energy: 0.270
local terms energy: -80.707789
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -116.826170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.826170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.826170 (E_RNA)
where:
Base-Base interactions energy: -40.263
where: short stacking energy: -40.263
Base-Backbone interact. energy: -0.295
local terms energy: -76.267912
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -8.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -119.576490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.576490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.576490 (E_RNA)
where:
Base-Base interactions energy: -45.234
where: short stacking energy: -39.978
Base-Backbone interact. energy: 0.425
local terms energy: -74.767231
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -26.514
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -100.682341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.682341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.682341 (E_RNA)
where:
Base-Base interactions energy: -36.135
where: short stacking energy: -36.135
Base-Backbone interact. energy: -0.196
local terms energy: -64.352223
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -328.635553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.635553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.635553 (E_RNA)
where:
Base-Base interactions energy: -215.013
where: short stacking energy: -100.906
Base-Backbone interact. energy: -1.328
local terms energy: -112.294285
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -27.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -300.710758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.710758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.710758 (E_RNA)
where:
Base-Base interactions energy: -185.166
where: short stacking energy: -103.412
Base-Backbone interact. energy: -0.803
local terms energy: -114.742515
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -25.974
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -25.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -322.693929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.693929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.693929 (E_RNA)
where:
Base-Base interactions energy: -203.228
where: short stacking energy: -106.831
Base-Backbone interact. energy: -0.068
local terms energy: -119.397806
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -18.383
tors. eta vs tors. theta energy: -33.583
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: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -268.361340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.361340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.361340 (E_RNA)
where:
Base-Base interactions energy: -158.920
where: short stacking energy: -89.832
Base-Backbone interact. energy: 1.820
local terms energy: -111.262101
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -18.276
tors. eta vs tors. theta energy: -25.258
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: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -227.946759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.946759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.946759 (E_RNA)
where:
Base-Base interactions energy: -138.816
where: short stacking energy: -73.126
Base-Backbone interact. energy: 0.099
local terms energy: -89.229600
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -135.438708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.438708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.438708 (E_RNA)
where:
Base-Base interactions energy: -62.148
where: short stacking energy: -48.599
Base-Backbone interact. energy: -0.233
local terms energy: -73.057826
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -148.505234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.505234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.505234 (E_RNA)
where:
Base-Base interactions energy: -72.100
where: short stacking energy: -47.318
Base-Backbone interact. energy: 1.670
local terms energy: -78.074852
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -9.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -120.524869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.524869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.524869 (E_RNA)
where:
Base-Base interactions energy: -47.122
where: short stacking energy: -47.122
Base-Backbone interact. energy: -0.340
local terms energy: -73.063002
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -3.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -129.422034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.422034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.422034 (E_RNA)
where:
Base-Base interactions energy: -63.391
where: short stacking energy: -51.028
Base-Backbone interact. energy: 1.513
local terms energy: -67.543457
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -6.917
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: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -116.427345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.427345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.427345 (E_RNA)
where:
Base-Base interactions energy: -50.008
where: short stacking energy: -39.200
Base-Backbone interact. energy: -0.148
local terms energy: -66.271354
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -315.784941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.784941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.784941 (E_RNA)
where:
Base-Base interactions energy: -206.076
where: short stacking energy: -108.780
Base-Backbone interact. energy: -0.318
local terms energy: -109.390866
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -29.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -285.902907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.902907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.902907 (E_RNA)
where:
Base-Base interactions energy: -179.635
where: short stacking energy: -93.672
Base-Backbone interact. energy: -0.440
local terms energy: -105.828138
where:
bonds (distance) C4'-P energy: -26.364
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -28.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -301.475366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.475366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.475366 (E_RNA)
where:
Base-Base interactions energy: -195.140
where: short stacking energy: -91.188
Base-Backbone interact. energy: -0.054
local terms energy: -106.281338
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -25.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -263.733468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.733468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.733468 (E_RNA)
where:
Base-Base interactions energy: -162.249
where: short stacking energy: -95.153
Base-Backbone interact. energy: -0.308
local terms energy: -101.176894
where:
bonds (distance) C4'-P energy: -24.385
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -24.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -231.108419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.108419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.108419 (E_RNA)
where:
Base-Base interactions energy: -139.767
where: short stacking energy: -81.897
Base-Backbone interact. energy: -0.347
local terms energy: -90.993935
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -22.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -138.954300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.954300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.954300 (E_RNA)
where:
Base-Base interactions energy: -49.842
where: short stacking energy: -46.401
Base-Backbone interact. energy: -0.407
local terms energy: -88.705433
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -8.552
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: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -124.950233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.950233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.950233 (E_RNA)
where:
Base-Base interactions energy: -52.065
where: short stacking energy: -52.065
Base-Backbone interact. energy: 0.928
local terms energy: -73.813197
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -8.914
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -127.298941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.298941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.298941 (E_RNA)
where:
Base-Base interactions energy: -47.081
where: short stacking energy: -46.986
Base-Backbone interact. energy: -0.190
local terms energy: -80.028082
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -23.714
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -9.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -121.785265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.785265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.785265 (E_RNA)
where:
Base-Base interactions energy: -55.670
where: short stacking energy: -41.797
Base-Backbone interact. energy: 2.910
local terms energy: -69.025300
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -101.144850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.144850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.144850 (E_RNA)
where:
Base-Base interactions energy: -30.791
where: short stacking energy: -29.627
Base-Backbone interact. energy: 1.437
local terms energy: -71.791686
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -317.876420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.876420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.876420 (E_RNA)
where:
Base-Base interactions energy: -201.358
where: short stacking energy: -97.960
Base-Backbone interact. energy: -1.469
local terms energy: -115.049429
where:
bonds (distance) C4'-P energy: -22.737
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -24.344
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -29.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -316.598802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.598802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.598802 (E_RNA)
where:
Base-Base interactions energy: -201.650
where: short stacking energy: -93.783
Base-Backbone interact. energy: 0.686
local terms energy: -115.635138
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -24.547
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -29.658
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: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -290.899295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.899295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.899295 (E_RNA)
where:
Base-Base interactions energy: -187.756
where: short stacking energy: -99.375
Base-Backbone interact. energy: -0.170
local terms energy: -102.973851
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -32.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -245.263475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.263475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.263475 (E_RNA)
where:
Base-Base interactions energy: -140.858
where: short stacking energy: -79.506
Base-Backbone interact. energy: -0.187
local terms energy: -104.218599
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -27.606
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -231.206488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.206488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.206488 (E_RNA)
where:
Base-Base interactions energy: -132.623
where: short stacking energy: -72.335
Base-Backbone interact. energy: -0.239
local terms energy: -98.344019
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -26.044
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -134.284418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.284418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.284418 (E_RNA)
where:
Base-Base interactions energy: -54.174
where: short stacking energy: -40.199
Base-Backbone interact. energy: 0.623
local terms energy: -80.733965
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -27.132
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -127.403676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.403676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.403676 (E_RNA)
where:
Base-Base interactions energy: -48.545
where: short stacking energy: -48.506
Base-Backbone interact. energy: -0.110
local terms energy: -78.749493
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -26.601
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -10.400
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: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -119.319390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.319390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.319390 (E_RNA)
where:
Base-Base interactions energy: -51.950
where: short stacking energy: -28.539
Base-Backbone interact. energy: -0.401
local terms energy: -66.968856
where:
bonds (distance) C4'-P energy: -23.461
bonds (distance) P-C4' energy: -24.991
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: 6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -121.325490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.325490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.325490 (E_RNA)
where:
Base-Base interactions energy: -45.387
where: short stacking energy: -44.147
Base-Backbone interact. energy: -0.118
local terms energy: -75.821008
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -19.898
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -110.379765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.379765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.379765 (E_RNA)
where:
Base-Base interactions energy: -32.963
where: short stacking energy: -32.963
Base-Backbone interact. energy: -0.098
local terms energy: -77.318786
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -20.705
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: 1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -331.722154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.722154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.722154 (E_RNA)
where:
Base-Base interactions energy: -209.790
where: short stacking energy: -107.967
Base-Backbone interact. energy: -2.509
local terms energy: -119.423523
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -31.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -317.809863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.809863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.809863 (E_RNA)
where:
Base-Base interactions energy: -197.658
where: short stacking energy: -115.359
Base-Backbone interact. energy: -0.812
local terms energy: -119.339716
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -25.377
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -16.449
tors. eta vs tors. theta energy: -34.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -290.177792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.177792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.177792 (E_RNA)
where:
Base-Base interactions energy: -185.716
where: short stacking energy: -96.526
Base-Backbone interact. energy: -0.211
local terms energy: -104.250448
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -24.954
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -23.749
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: 160
Temperature: 1.050000
Total energy: -255.551218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.551218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.551218 (E_RNA)
where:
Base-Base interactions energy: -148.275
where: short stacking energy: -88.294
Base-Backbone interact. energy: -0.169
local terms energy: -107.107191
where:
bonds (distance) C4'-P energy: -23.961
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: -26.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -237.548598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.548598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.548598 (E_RNA)
where:
Base-Base interactions energy: -140.648
where: short stacking energy: -84.308
Base-Backbone interact. energy: -0.202
local terms energy: -96.699412
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -24.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -125.568079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.568079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.568079 (E_RNA)
where:
Base-Base interactions energy: -46.039
where: short stacking energy: -42.859
Base-Backbone interact. energy: -0.271
local terms energy: -79.258782
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -14.476
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: 7, replica: 7
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -126.363243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.363243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.363243 (E_RNA)
where:
Base-Base interactions energy: -59.217
where: short stacking energy: -45.471
Base-Backbone interact. energy: -0.175
local terms energy: -66.971861
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -2.995
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: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -115.372238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.372238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.372238 (E_RNA)
where:
Base-Base interactions energy: -53.045
where: short stacking energy: -40.937
Base-Backbone interact. energy: 0.072
local terms energy: -62.399362
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -111.730212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.730212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.730212 (E_RNA)
where:
Base-Base interactions energy: -42.031
where: short stacking energy: -36.619
Base-Backbone interact. energy: -0.137
local terms energy: -69.562257
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -20.971
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -8.538
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: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -109.790059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.790059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.790059 (E_RNA)
where:
Base-Base interactions energy: -51.641
where: short stacking energy: -46.948
Base-Backbone interact. energy: -0.144
local terms energy: -58.005370
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -330.904132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.904132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.904132 (E_RNA)
where:
Base-Base interactions energy: -207.068
where: short stacking energy: -105.970
Base-Backbone interact. energy: -0.172
local terms energy: -123.664136
where:
bonds (distance) C4'-P energy: -26.244
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -25.135
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -31.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -293.292256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.292256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.292256 (E_RNA)
where:
Base-Base interactions energy: -188.961
where: short stacking energy: -84.107
Base-Backbone interact. energy: -0.182
local terms energy: -104.149039
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -25.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -302.918966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.918966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.918966 (E_RNA)
where:
Base-Base interactions energy: -193.433
where: short stacking energy: -101.561
Base-Backbone interact. energy: -1.291
local terms energy: -108.194860
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -26.450
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -30.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -269.382428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.382428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.382428 (E_RNA)
where:
Base-Base interactions energy: -160.632
where: short stacking energy: -97.566
Base-Backbone interact. energy: -0.658
local terms energy: -108.092279
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -28.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -228.337487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.337487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.337487 (E_RNA)
where:
Base-Base interactions energy: -131.171
where: short stacking energy: -69.111
Base-Backbone interact. energy: -0.166
local terms energy: -97.000991
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -19.519
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: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -144.467099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.467099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.467099 (E_RNA)
where:
Base-Base interactions energy: -61.784
where: short stacking energy: -52.072
Base-Backbone interact. energy: -0.953
local terms energy: -81.730763
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -128.985450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.985450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.985450 (E_RNA)
where:
Base-Base interactions energy: -60.004
where: short stacking energy: -44.433
Base-Backbone interact. energy: -0.105
local terms energy: -68.877056
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -14.116
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: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -123.763103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.763103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.763103 (E_RNA)
where:
Base-Base interactions energy: -50.308
where: short stacking energy: -37.306
Base-Backbone interact. energy: -0.332
local terms energy: -73.122831
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -2.360
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: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -125.382047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.382047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.382047 (E_RNA)
where:
Base-Base interactions energy: -48.239
where: short stacking energy: -48.356
Base-Backbone interact. energy: -0.212
local terms energy: -76.930337
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -20.975
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -113.544353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.544353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.544353 (E_RNA)
where:
Base-Base interactions energy: -47.556
where: short stacking energy: -44.506
Base-Backbone interact. energy: -0.437
local terms energy: -65.551134
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -23.082
flat angles P-C4'-P energy: -9.286
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: 162
Temperature: 0.900000
Total energy: -297.431485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.431485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.431485 (E_RNA)
where:
Base-Base interactions energy: -189.934
where: short stacking energy: -107.155
Base-Backbone interact. energy: -1.001
local terms energy: -106.497280
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -28.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -303.870568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.870568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.870568 (E_RNA)
where:
Base-Base interactions energy: -199.642
where: short stacking energy: -93.596
Base-Backbone interact. energy: -0.488
local terms energy: -103.739955
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -32.343
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: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -263.177358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.177358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.177358 (E_RNA)
where:
Base-Base interactions energy: -170.159
where: short stacking energy: -82.090
Base-Backbone interact. energy: -0.503
local terms energy: -92.515690
where:
bonds (distance) C4'-P energy: -21.557
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -286.282884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.282884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.282884 (E_RNA)
where:
Base-Base interactions energy: -187.505
where: short stacking energy: -89.954
Base-Backbone interact. energy: -0.900
local terms energy: -97.877684
where:
bonds (distance) C4'-P energy: -25.441
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -221.130146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.130146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.130146 (E_RNA)
where:
Base-Base interactions energy: -132.462
where: short stacking energy: -72.305
Base-Backbone interact. energy: -0.445
local terms energy: -88.223053
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -21.147
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: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -137.062601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.062601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.062601 (E_RNA)
where:
Base-Base interactions energy: -49.873
where: short stacking energy: -49.873
Base-Backbone interact. energy: -0.205
local terms energy: -86.984622
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -129.607337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.607337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.607337 (E_RNA)
where:
Base-Base interactions energy: -44.683
where: short stacking energy: -39.539
Base-Backbone interact. energy: -0.016
local terms energy: -84.908317
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -24.704
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -136.969590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.969590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.969590 (E_RNA)
where:
Base-Base interactions energy: -61.294
where: short stacking energy: -61.294
Base-Backbone interact. energy: -0.305
local terms energy: -75.370931
where:
bonds (distance) C4'-P energy: -21.255
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -116.157658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.157658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.157658 (E_RNA)
where:
Base-Base interactions energy: -40.066
where: short stacking energy: -27.172
Base-Backbone interact. energy: -0.399
local terms energy: -75.692205
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -21.282
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -6.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -111.486524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.486524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.486524 (E_RNA)
where:
Base-Base interactions energy: -41.798
where: short stacking energy: -32.922
Base-Backbone interact. energy: 1.443
local terms energy: -71.132120
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -3.416
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: 163
Temperature: 0.900000
Total energy: -301.939792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.939792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.939792 (E_RNA)
where:
Base-Base interactions energy: -192.353
where: short stacking energy: -93.062
Base-Backbone interact. energy: -0.318
local terms energy: -109.267843
where:
bonds (distance) C4'-P energy: -24.759
bonds (distance) P-C4' energy: -22.149
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -26.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -319.646974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.646974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.646974 (E_RNA)
where:
Base-Base interactions energy: -207.583
where: short stacking energy: -96.734
Base-Backbone interact. energy: -0.277
local terms energy: -111.786992
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -28.558
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -27.672
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: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -293.914581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.914581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.914581 (E_RNA)
where:
Base-Base interactions energy: -188.280
where: short stacking energy: -100.176
Base-Backbone interact. energy: -0.048
local terms energy: -105.586347
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -28.452
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: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -272.466663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.466663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.466663 (E_RNA)
where:
Base-Base interactions energy: -160.534
where: short stacking energy: -91.032
Base-Backbone interact. energy: -0.385
local terms energy: -111.547929
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -22.218
flat angles C4'-P-C4' energy: -25.208
flat angles P-C4'-P energy: -17.491
tors. eta vs tors. theta energy: -28.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -222.506672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.506672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.506672 (E_RNA)
where:
Base-Base interactions energy: -129.941
where: short stacking energy: -77.103
Base-Backbone interact. energy: -0.127
local terms energy: -92.438983
where:
bonds (distance) C4'-P energy: -24.158
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -19.768
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -18.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -160.585264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.585264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.585264 (E_RNA)
where:
Base-Base interactions energy: -63.964
where: short stacking energy: -63.964
Base-Backbone interact. energy: -0.040
local terms energy: -96.580981
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -125.844525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.844525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.844525 (E_RNA)
where:
Base-Base interactions energy: -41.795
where: short stacking energy: -41.795
Base-Backbone interact. energy: -0.363
local terms energy: -83.686003
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -131.707737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.707737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.707737 (E_RNA)
where:
Base-Base interactions energy: -49.949
where: short stacking energy: -49.949
Base-Backbone interact. energy: -0.119
local terms energy: -81.639750
where:
bonds (distance) C4'-P energy: -24.070
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -10.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -112.321060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.321060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.321060 (E_RNA)
where:
Base-Base interactions energy: -39.510
where: short stacking energy: -36.202
Base-Backbone interact. energy: -0.261
local terms energy: -72.550007
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -19.206
tors. eta vs tors. theta energy: 1.297
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: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -96.023057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.023057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.023057 (E_RNA)
where:
Base-Base interactions energy: -33.230
where: short stacking energy: -26.999
Base-Backbone interact. energy: -0.379
local terms energy: -62.413953
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: 1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -315.363531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.363531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.363531 (E_RNA)
where:
Base-Base interactions energy: -206.906
where: short stacking energy: -102.467
Base-Backbone interact. energy: -0.632
local terms energy: -107.825974
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -28.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -292.790636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.790636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.790636 (E_RNA)
where:
Base-Base interactions energy: -191.319
where: short stacking energy: -100.259
Base-Backbone interact. energy: -0.096
local terms energy: -101.375334
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -26.967
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: 3, replica: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -288.902899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.902899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.902899 (E_RNA)
where:
Base-Base interactions energy: -178.379
where: short stacking energy: -100.398
Base-Backbone interact. energy: -0.119
local terms energy: -110.405006
where:
bonds (distance) C4'-P energy: -23.908
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -23.569
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -27.725
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: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -259.067086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.067086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.067086 (E_RNA)
where:
Base-Base interactions energy: -147.206
where: short stacking energy: -80.164
Base-Backbone interact. energy: -0.186
local terms energy: -111.674965
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -23.592
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -27.850
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: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -228.994897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.994897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.994897 (E_RNA)
where:
Base-Base interactions energy: -135.354
where: short stacking energy: -75.321
Base-Backbone interact. energy: 0.923
local terms energy: -94.563203
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -19.436
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: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -147.069608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.069608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.069608 (E_RNA)
where:
Base-Base interactions energy: -56.086
where: short stacking energy: -56.086
Base-Backbone interact. energy: -0.068
local terms energy: -90.915402
where:
bonds (distance) C4'-P energy: -25.589
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -130.711803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.711803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.711803 (E_RNA)
where:
Base-Base interactions energy: -45.474
where: short stacking energy: -41.758
Base-Backbone interact. energy: -0.224
local terms energy: -85.013393
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -14.146
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: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -112.634539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.634539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.634539 (E_RNA)
where:
Base-Base interactions energy: -40.214
where: short stacking energy: -34.947
Base-Backbone interact. energy: -0.312
local terms energy: -72.108718
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -116.569550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.569550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.569550 (E_RNA)
where:
Base-Base interactions energy: -53.073
where: short stacking energy: -46.656
Base-Backbone interact. energy: -0.405
local terms energy: -63.091354
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -113.995463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.995463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.995463 (E_RNA)
where:
Base-Base interactions energy: -52.373
where: short stacking energy: -36.508
Base-Backbone interact. energy: -1.171
local terms energy: -60.451375
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: 1.281
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: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -310.096724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.096724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.096724 (E_RNA)
where:
Base-Base interactions energy: -205.197
where: short stacking energy: -102.191
Base-Backbone interact. energy: -0.409
local terms energy: -104.490882
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -16.463
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: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -285.243499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.243499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.243499 (E_RNA)
where:
Base-Base interactions energy: -177.426
where: short stacking energy: -105.399
Base-Backbone interact. energy: -0.208
local terms energy: -107.609492
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -23.153
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -29.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -298.503022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.503022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.503022 (E_RNA)
where:
Base-Base interactions energy: -195.111
where: short stacking energy: -96.491
Base-Backbone interact. energy: -0.322
local terms energy: -103.070540
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -22.897
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -29.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -274.688350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.688350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.688350 (E_RNA)
where:
Base-Base interactions energy: -174.242
where: short stacking energy: -93.762
Base-Backbone interact. energy: -0.272
local terms energy: -100.174247
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: -26.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -225.845746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.845746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.845746 (E_RNA)
where:
Base-Base interactions energy: -123.747
where: short stacking energy: -67.341
Base-Backbone interact. energy: -0.065
local terms energy: -102.033850
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -20.608
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: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -146.158057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.158057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.158057 (E_RNA)
where:
Base-Base interactions energy: -62.647
where: short stacking energy: -62.647
Base-Backbone interact. energy: -0.031
local terms energy: -83.480104
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -135.670915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.670915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.670915 (E_RNA)
where:
Base-Base interactions energy: -60.334
where: short stacking energy: -56.931
Base-Backbone interact. energy: 0.694
local terms energy: -76.030745
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -9.948
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: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -109.920155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.920155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.920155 (E_RNA)
where:
Base-Base interactions energy: -35.354
where: short stacking energy: -28.951
Base-Backbone interact. energy: -0.291
local terms energy: -74.275088
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -124.338753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.338753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.338753 (E_RNA)
where:
Base-Base interactions energy: -43.461
where: short stacking energy: -38.190
Base-Backbone interact. energy: -0.178
local terms energy: -80.700216
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -25.153
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -122.445840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.445840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.445840 (E_RNA)
where:
Base-Base interactions energy: -36.464
where: short stacking energy: -29.048
Base-Backbone interact. energy: -0.960
local terms energy: -85.022052
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -321.620408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.620408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.620408 (E_RNA)
where:
Base-Base interactions energy: -208.178
where: short stacking energy: -105.118
Base-Backbone interact. energy: -0.173
local terms energy: -113.268913
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -31.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -276.614117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.614117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.614117 (E_RNA)
where:
Base-Base interactions energy: -174.548
where: short stacking energy: -88.537
Base-Backbone interact. energy: -0.055
local terms energy: -102.010782
where:
bonds (distance) C4'-P energy: -20.849
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -20.452
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -22.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -277.366839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.366839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.366839 (E_RNA)
where:
Base-Base interactions energy: -174.894
where: short stacking energy: -81.338
Base-Backbone interact. energy: -0.174
local terms energy: -102.298287
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -23.118
flat angles C4'-P-C4' energy: -23.778
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -23.765
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: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -282.248384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.248384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.248384 (E_RNA)
where:
Base-Base interactions energy: -182.446
where: short stacking energy: -98.935
Base-Backbone interact. energy: -0.520
local terms energy: -99.282666
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -14.082
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: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -226.746473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.746473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.746473 (E_RNA)
where:
Base-Base interactions energy: -133.276
where: short stacking energy: -83.245
Base-Backbone interact. energy: -0.116
local terms energy: -93.353911
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -24.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -127.037300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.037300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.037300 (E_RNA)
where:
Base-Base interactions energy: -49.544
where: short stacking energy: -49.202
Base-Backbone interact. energy: -0.094
local terms energy: -77.399321
where:
bonds (distance) C4'-P energy: -19.918
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -133.560922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.560922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.560922 (E_RNA)
where:
Base-Base interactions energy: -60.828
where: short stacking energy: -49.495
Base-Backbone interact. energy: -0.393
local terms energy: -72.340386
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -7.095
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: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -132.142389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.142389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.142389 (E_RNA)
where:
Base-Base interactions energy: -48.350
where: short stacking energy: -48.350
Base-Backbone interact. energy: 1.855
local terms energy: -85.647591
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -7.858
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: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -112.465420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.465420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.465420 (E_RNA)
where:
Base-Base interactions energy: -44.009
where: short stacking energy: -41.413
Base-Backbone interact. energy: -0.077
local terms energy: -68.379069
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -99.887918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.887918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.887918 (E_RNA)
where:
Base-Base interactions energy: -33.916
where: short stacking energy: -28.632
Base-Backbone interact. energy: -0.790
local terms energy: -65.181707
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -26.429
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -7.329
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: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -321.688747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.688747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.688747 (E_RNA)
where:
Base-Base interactions energy: -206.698
where: short stacking energy: -98.707
Base-Backbone interact. energy: -0.273
local terms energy: -114.718347
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -23.233
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -31.675
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: 2, replica: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -289.219617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.219617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.219617 (E_RNA)
where:
Base-Base interactions energy: -179.233
where: short stacking energy: -103.179
Base-Backbone interact. energy: 1.818
local terms energy: -111.804093
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -20.086
flat angles C4'-P-C4' energy: -23.015
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -30.015
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: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -281.194813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.194813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.194813 (E_RNA)
where:
Base-Base interactions energy: -173.767
where: short stacking energy: -96.365
Base-Backbone interact. energy: -0.830
local terms energy: -106.597372
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -23.051
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -23.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -285.784617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.784617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.784617 (E_RNA)
where:
Base-Base interactions energy: -189.175
where: short stacking energy: -98.625
Base-Backbone interact. energy: -0.573
local terms energy: -96.035833
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -243.880728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.880728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.880728 (E_RNA)
where:
Base-Base interactions energy: -145.590
where: short stacking energy: -86.970
Base-Backbone interact. energy: -0.090
local terms energy: -98.200560
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -24.270
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: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -176.471426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.471426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.471426 (E_RNA)
where:
Base-Base interactions energy: -101.879
where: short stacking energy: -55.812
Base-Backbone interact. energy: -0.295
local terms energy: -74.297173
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -124.943743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.943743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.943743 (E_RNA)
where:
Base-Base interactions energy: -52.363
where: short stacking energy: -50.899
Base-Backbone interact. energy: -0.073
local terms energy: -72.507846
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -8.002
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: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -119.693245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.693245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.693245 (E_RNA)
where:
Base-Base interactions energy: -43.956
where: short stacking energy: -38.465
Base-Backbone interact. energy: 0.010
local terms energy: -75.746693
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -115.823029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.823029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.823029 (E_RNA)
where:
Base-Base interactions energy: -47.430
where: short stacking energy: -36.522
Base-Backbone interact. energy: -0.223
local terms energy: -68.169781
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: 0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -107.268391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.268391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.268391 (E_RNA)
where:
Base-Base interactions energy: -40.993
where: short stacking energy: -40.993
Base-Backbone interact. energy: -0.160
local terms energy: -66.115949
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: 0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -321.067296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.067296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.067296 (E_RNA)
where:
Base-Base interactions energy: -206.453
where: short stacking energy: -104.042
Base-Backbone interact. energy: -0.128
local terms energy: -114.486803
where:
bonds (distance) C4'-P energy: -24.481
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -29.397
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: 168
Temperature: 0.950000
Total energy: -291.254600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.254600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.254600 (E_RNA)
where:
Base-Base interactions energy: -177.171
where: short stacking energy: -104.106
Base-Backbone interact. energy: -0.051
local terms energy: -114.031854
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -21.839
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -25.569
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: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -262.686896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.686896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.686896 (E_RNA)
where:
Base-Base interactions energy: -167.765
where: short stacking energy: -87.249
Base-Backbone interact. energy: -0.283
local terms energy: -94.638535
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -19.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -270.201236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.201236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.201236 (E_RNA)
where:
Base-Base interactions energy: -164.216
where: short stacking energy: -74.243
Base-Backbone interact. energy: -1.076
local terms energy: -104.908888
where:
bonds (distance) C4'-P energy: -23.317
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -27.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -230.659931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.659931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.659931 (E_RNA)
where:
Base-Base interactions energy: -131.788
where: short stacking energy: -67.820
Base-Backbone interact. energy: -0.028
local terms energy: -98.844385
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -180.554064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.554064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.554064 (E_RNA)
where:
Base-Base interactions energy: -94.740
where: short stacking energy: -52.839
Base-Backbone interact. energy: -0.200
local terms energy: -85.613679
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -7.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -131.579302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.579302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.579302 (E_RNA)
where:
Base-Base interactions energy: -57.288
where: short stacking energy: -57.288
Base-Backbone interact. energy: -0.263
local terms energy: -74.027697
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -121.837111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.837111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.837111 (E_RNA)
where:
Base-Base interactions energy: -37.819
where: short stacking energy: -37.819
Base-Backbone interact. energy: -0.027
local terms energy: -83.991218
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -117.139406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.139406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.139406 (E_RNA)
where:
Base-Base interactions energy: -43.787
where: short stacking energy: -38.476
Base-Backbone interact. energy: -0.413
local terms energy: -72.939270
where:
bonds (distance) C4'-P energy: -22.865
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -119.657795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.657795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.657795 (E_RNA)
where:
Base-Base interactions energy: -56.067
where: short stacking energy: -43.048
Base-Backbone interact. energy: -0.133
local terms energy: -63.457482
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -5.897
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: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -327.495528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.495528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.495528 (E_RNA)
where:
Base-Base interactions energy: -201.617
where: short stacking energy: -100.560
Base-Backbone interact. energy: -0.298
local terms energy: -125.580345
where:
bonds (distance) C4'-P energy: -25.354
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -18.373
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: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -304.637754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.637754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.637754 (E_RNA)
where:
Base-Base interactions energy: -190.330
where: short stacking energy: -108.275
Base-Backbone interact. energy: -0.207
local terms energy: -114.101024
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -33.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -264.948280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.948280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.948280 (E_RNA)
where:
Base-Base interactions energy: -165.255
where: short stacking energy: -88.953
Base-Backbone interact. energy: -0.002
local terms energy: -99.690714
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -235.206785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.206785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.206785 (E_RNA)
where:
Base-Base interactions energy: -147.020
where: short stacking energy: -87.616
Base-Backbone interact. energy: 0.571
local terms energy: -88.757319
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -263.024939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.024939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.024939 (E_RNA)
where:
Base-Base interactions energy: -174.780
where: short stacking energy: -87.061
Base-Backbone interact. energy: -0.359
local terms energy: -87.885645
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -177.750479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.750479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.750479 (E_RNA)
where:
Base-Base interactions energy: -103.557
where: short stacking energy: -66.973
Base-Backbone interact. energy: -0.334
local terms energy: -73.859760
where:
bonds (distance) C4'-P energy: -22.936
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -124.524161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.524161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.524161 (E_RNA)
where:
Base-Base interactions energy: -58.625
where: short stacking energy: -54.792
Base-Backbone interact. energy: -0.156
local terms energy: -65.743004
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -121.259589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.259589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.259589 (E_RNA)
where:
Base-Base interactions energy: -41.279
where: short stacking energy: -42.125
Base-Backbone interact. energy: -0.034
local terms energy: -79.946478
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -8.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -114.146249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.146249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.146249 (E_RNA)
where:
Base-Base interactions energy: -43.377
where: short stacking energy: -43.377
Base-Backbone interact. energy: 0.072
local terms energy: -70.841653
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -23.811
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -109.110703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.110703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.110703 (E_RNA)
where:
Base-Base interactions energy: -35.750
where: short stacking energy: -35.750
Base-Backbone interact. energy: 0.756
local terms energy: -74.116556
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -12.537
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: 1, replica: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -320.638795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.638795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.638795 (E_RNA)
where:
Base-Base interactions energy: -201.727
where: short stacking energy: -103.239
Base-Backbone interact. energy: 0.618
local terms energy: -119.529555
where:
bonds (distance) C4'-P energy: -24.618
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -25.427
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -30.043
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: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -303.403360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.403360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.403360 (E_RNA)
where:
Base-Base interactions energy: -188.015
where: short stacking energy: -104.464
Base-Backbone interact. energy: -0.056
local terms energy: -115.331416
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -32.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -292.072967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.072967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.072967 (E_RNA)
where:
Base-Base interactions energy: -172.203
where: short stacking energy: -96.016
Base-Backbone interact. energy: -0.217
local terms energy: -119.653040
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -25.552
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -31.163
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: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -241.253726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.253726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.253726 (E_RNA)
where:
Base-Base interactions energy: -152.873
where: short stacking energy: -96.631
Base-Backbone interact. energy: 2.751
local terms energy: -91.132342
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -19.817
tors. eta vs tors. theta energy: -21.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -268.846467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.846467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.846467 (E_RNA)
where:
Base-Base interactions energy: -170.689
where: short stacking energy: -80.479
Base-Backbone interact. energy: -0.262
local terms energy: -97.895512
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -15.050
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: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -173.370212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.370212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.370212 (E_RNA)
where:
Base-Base interactions energy: -92.521
where: short stacking energy: -55.149
Base-Backbone interact. energy: -0.307
local terms energy: -80.542213
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -11.580
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: 7, replica: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -124.317340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.317340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.317340 (E_RNA)
where:
Base-Base interactions energy: -62.317
where: short stacking energy: -42.127
Base-Backbone interact. energy: -0.471
local terms energy: -61.529538
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -2.694
tors. eta vs tors. theta energy: -5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -108.394085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.394085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.394085 (E_RNA)
where:
Base-Base interactions energy: -36.715
where: short stacking energy: -35.875
Base-Backbone interact. energy: -0.352
local terms energy: -71.326998
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -8.828
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: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -126.770907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.770907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.770907 (E_RNA)
where:
Base-Base interactions energy: -60.768
where: short stacking energy: -42.243
Base-Backbone interact. energy: 2.266
local terms energy: -68.269000
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -108.148384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.148384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.148384 (E_RNA)
where:
Base-Base interactions energy: -42.785
where: short stacking energy: -28.579
Base-Backbone interact. energy: -1.234
local terms energy: -64.129174
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -0.511
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: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -323.153941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.153941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.153941 (E_RNA)
where:
Base-Base interactions energy: -209.609
where: short stacking energy: -106.399
Base-Backbone interact. energy: 0.114
local terms energy: -113.658950
where:
bonds (distance) C4'-P energy: -23.710
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -21.953
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -31.186
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: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -300.908633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.908633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.908633 (E_RNA)
where:
Base-Base interactions energy: -193.862
where: short stacking energy: -98.677
Base-Backbone interact. energy: -0.106
local terms energy: -106.941065
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -30.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -270.072326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.072326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.072326 (E_RNA)
where:
Base-Base interactions energy: -167.236
where: short stacking energy: -86.087
Base-Backbone interact. energy: -0.322
local terms energy: -102.514781
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -24.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -242.332798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.332798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.332798 (E_RNA)
where:
Base-Base interactions energy: -148.210
where: short stacking energy: -87.410
Base-Backbone interact. energy: -0.148
local terms energy: -93.974971
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -20.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -249.583743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.583743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.583743 (E_RNA)
where:
Base-Base interactions energy: -155.394
where: short stacking energy: -85.929
Base-Backbone interact. energy: 0.375
local terms energy: -94.564763
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -181.668076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.668076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.668076 (E_RNA)
where:
Base-Base interactions energy: -96.707
where: short stacking energy: -59.221
Base-Backbone interact. energy: -0.437
local terms energy: -84.523539
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -13.959
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: 7, replica: 1
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -149.949216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.949216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.949216 (E_RNA)
where:
Base-Base interactions energy: -84.205
where: short stacking energy: -47.627
Base-Backbone interact. energy: 0.091
local terms energy: -65.835028
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -4.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -114.767708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.767708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.767708 (E_RNA)
where:
Base-Base interactions energy: -45.513
where: short stacking energy: -41.385
Base-Backbone interact. energy: -0.586
local terms energy: -68.669270
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -118.886058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.886058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.886058 (E_RNA)
where:
Base-Base interactions energy: -37.500
where: short stacking energy: -37.500
Base-Backbone interact. energy: -1.120
local terms energy: -80.266725
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -7.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -107.115275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.115275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.115275 (E_RNA)
where:
Base-Base interactions energy: -34.964
where: short stacking energy: -34.964
Base-Backbone interact. energy: -0.045
local terms energy: -72.106744
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -12.343
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: 1, replica: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -314.359137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.359137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.359137 (E_RNA)
where:
Base-Base interactions energy: -204.350
where: short stacking energy: -106.074
Base-Backbone interact. energy: 0.659
local terms energy: -110.668258
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -23.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -276.033497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.033497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.033497 (E_RNA)
where:
Base-Base interactions energy: -176.708
where: short stacking energy: -95.611
Base-Backbone interact. energy: -0.031
local terms energy: -99.293755
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -13.725
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: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -259.877440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.877440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.877440 (E_RNA)
where:
Base-Base interactions energy: -154.215
where: short stacking energy: -89.648
Base-Backbone interact. energy: -0.106
local terms energy: -105.556664
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -27.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -253.959908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.959908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.959908 (E_RNA)
where:
Base-Base interactions energy: -161.622
where: short stacking energy: -78.744
Base-Backbone interact. energy: -0.163
local terms energy: -92.175685
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -246.133249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.133249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.133249 (E_RNA)
where:
Base-Base interactions energy: -154.169
where: short stacking energy: -67.056
Base-Backbone interact. energy: 0.289
local terms energy: -92.253327
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -216.160806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.160806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.160806 (E_RNA)
where:
Base-Base interactions energy: -121.660
where: short stacking energy: -61.207
Base-Backbone interact. energy: -1.066
local terms energy: -93.434540
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -21.312
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -146.789075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.789075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.789075 (E_RNA)
where:
Base-Base interactions energy: -70.840
where: short stacking energy: -55.777
Base-Backbone interact. energy: 1.566
local terms energy: -77.514825
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -4.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -133.030353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.030353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.030353 (E_RNA)
where:
Base-Base interactions energy: -65.747
where: short stacking energy: -46.265
Base-Backbone interact. energy: -0.043
local terms energy: -67.240929
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -7.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -123.671439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.671439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.671439 (E_RNA)
where:
Base-Base interactions energy: -42.032
where: short stacking energy: -42.032
Base-Backbone interact. energy: -0.105
local terms energy: -81.535074
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -24.717
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -11.835
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: 10, replica: 5
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -114.525314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.525314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.525314 (E_RNA)
where:
Base-Base interactions energy: -37.142
where: short stacking energy: -37.142
Base-Backbone interact. energy: -0.166
local terms energy: -77.217296
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -319.171638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.171638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.171638 (E_RNA)
where:
Base-Base interactions energy: -206.771
where: short stacking energy: -106.898
Base-Backbone interact. energy: -0.130
local terms energy: -112.270301
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -18.708
tors. eta vs tors. theta energy: -28.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -264.062335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.062335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.062335 (E_RNA)
where:
Base-Base interactions energy: -150.468
where: short stacking energy: -93.713
Base-Backbone interact. energy: -0.139
local terms energy: -113.455886
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -12.413
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: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -276.505144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.505144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.505144 (E_RNA)
where:
Base-Base interactions energy: -165.246
where: short stacking energy: -94.516
Base-Backbone interact. energy: -0.053
local terms energy: -111.206168
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -21.994
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -25.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -260.932987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.932987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.932987 (E_RNA)
where:
Base-Base interactions energy: -167.095
where: short stacking energy: -86.031
Base-Backbone interact. energy: 0.102
local terms energy: -93.940510
where:
bonds (distance) C4'-P energy: -21.554
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -247.750288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.750288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.750288 (E_RNA)
where:
Base-Base interactions energy: -158.378
where: short stacking energy: -76.645
Base-Backbone interact. energy: -0.273
local terms energy: -89.099925
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -201.049385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.049385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.049385 (E_RNA)
where:
Base-Base interactions energy: -112.385
where: short stacking energy: -61.954
Base-Backbone interact. energy: -0.280
local terms energy: -88.384419
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -22.048
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -139.762232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.762232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.762232 (E_RNA)
where:
Base-Base interactions energy: -66.049
where: short stacking energy: -60.951
Base-Backbone interact. energy: 0.649
local terms energy: -74.362012
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -106.317326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.317326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.317326 (E_RNA)
where:
Base-Base interactions energy: -29.960
where: short stacking energy: -29.500
Base-Backbone interact. energy: -0.362
local terms energy: -75.994974
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -113.903382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.903382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.903382 (E_RNA)
where:
Base-Base interactions energy: -41.071
where: short stacking energy: -27.562
Base-Backbone interact. energy: -0.247
local terms energy: -72.585301
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -20.457
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -113.794505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.794505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.794505 (E_RNA)
where:
Base-Base interactions energy: -51.367
where: short stacking energy: -40.693
Base-Backbone interact. energy: -0.409
local terms energy: -62.019231
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -12.983
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: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -315.711451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.711451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.711451 (E_RNA)
where:
Base-Base interactions energy: -201.547
where: short stacking energy: -99.155
Base-Backbone interact. energy: -0.207
local terms energy: -113.956894
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -28.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -270.110902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.110902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.110902 (E_RNA)
where:
Base-Base interactions energy: -156.709
where: short stacking energy: -99.806
Base-Backbone interact. energy: 0.480
local terms energy: -113.881479
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -24.490
flat angles C4'-P-C4' energy: -26.224
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -29.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -276.834538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.834538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.834538 (E_RNA)
where:
Base-Base interactions energy: -169.620
where: short stacking energy: -99.662
Base-Backbone interact. energy: -0.005
local terms energy: -107.208788
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -26.287
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -27.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -270.145661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.145661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.145661 (E_RNA)
where:
Base-Base interactions energy: -168.368
where: short stacking energy: -98.119
Base-Backbone interact. energy: -0.005
local terms energy: -101.772290
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -22.555
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -27.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -256.244428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.244428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.244428 (E_RNA)
where:
Base-Base interactions energy: -160.942
where: short stacking energy: -83.495
Base-Backbone interact. energy: -0.490
local terms energy: -94.812278
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -25.674
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -219.993291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.993291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.993291 (E_RNA)
where:
Base-Base interactions energy: -130.907
where: short stacking energy: -76.571
Base-Backbone interact. energy: -0.227
local terms energy: -88.859291
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -16.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -122.435063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.435063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.435063 (E_RNA)
where:
Base-Base interactions energy: -45.536
where: short stacking energy: -43.806
Base-Backbone interact. energy: -0.041
local terms energy: -76.858269
where:
bonds (distance) C4'-P energy: -21.168
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -115.460867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.460867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.460867 (E_RNA)
where:
Base-Base interactions energy: -39.621
where: short stacking energy: -37.436
Base-Backbone interact. energy: -0.082
local terms energy: -75.757688
where:
bonds (distance) C4'-P energy: -25.403
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -4.216
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -113.106810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.106810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.106810 (E_RNA)
where:
Base-Base interactions energy: -40.987
where: short stacking energy: -30.086
Base-Backbone interact. energy: 1.061
local terms energy: -73.180940
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -23.901
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -5.504
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: 10, replica: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -125.479065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.479065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.479065 (E_RNA)
where:
Base-Base interactions energy: -48.317
where: short stacking energy: -47.248
Base-Backbone interact. energy: -0.097
local terms energy: -77.064969
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -25.462
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -320.807800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.807800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.807800 (E_RNA)
where:
Base-Base interactions energy: -203.787
where: short stacking energy: -93.651
Base-Backbone interact. energy: -0.350
local terms energy: -116.670943
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -23.341
flat angles P-C4'-P energy: -21.166
tors. eta vs tors. theta energy: -30.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -287.879236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.879236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.879236 (E_RNA)
where:
Base-Base interactions energy: -176.906
where: short stacking energy: -96.272
Base-Backbone interact. energy: -0.009
local terms energy: -110.963687
where:
bonds (distance) C4'-P energy: -26.152
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -25.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -258.460517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.460517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.460517 (E_RNA)
where:
Base-Base interactions energy: -152.318
where: short stacking energy: -94.906
Base-Backbone interact. energy: -0.016
local terms energy: -106.126453
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -23.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -291.708345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.708345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.708345 (E_RNA)
where:
Base-Base interactions energy: -178.057
where: short stacking energy: -86.838
Base-Backbone interact. energy: -0.610
local terms energy: -113.041008
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -24.883
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -27.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -249.805033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.805033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.805033 (E_RNA)
where:
Base-Base interactions energy: -142.969
where: short stacking energy: -80.147
Base-Backbone interact. energy: -0.074
local terms energy: -106.761673
where:
bonds (distance) C4'-P energy: -25.822
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -20.090
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: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -216.940126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.940126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.940126 (E_RNA)
where:
Base-Base interactions energy: -124.738
where: short stacking energy: -68.847
Base-Backbone interact. energy: -1.040
local terms energy: -91.161647
where:
bonds (distance) C4'-P energy: -21.127
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -125.043831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.043831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.043831 (E_RNA)
where:
Base-Base interactions energy: -45.383
where: short stacking energy: -45.142
Base-Backbone interact. energy: 0.158
local terms energy: -79.818929
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -24.752
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -7.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -114.584154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.584154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.584154 (E_RNA)
where:
Base-Base interactions energy: -43.252
where: short stacking energy: -31.671
Base-Backbone interact. energy: -0.325
local terms energy: -71.007223
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -24.264
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -109.254332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.254332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.254332 (E_RNA)
where:
Base-Base interactions energy: -36.194
where: short stacking energy: -35.249
Base-Backbone interact. energy: -0.351
local terms energy: -72.708965
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -112.655554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.655554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.655554 (E_RNA)
where:
Base-Base interactions energy: -38.125
where: short stacking energy: -27.587
Base-Backbone interact. energy: -0.446
local terms energy: -74.084763
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: 3.213
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: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -322.860840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.860840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.860840 (E_RNA)
where:
Base-Base interactions energy: -204.888
where: short stacking energy: -105.002
Base-Backbone interact. energy: -0.008
local terms energy: -117.965109
where:
bonds (distance) C4'-P energy: -25.377
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -24.943
flat angles P-C4'-P energy: -19.033
tors. eta vs tors. theta energy: -28.539
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: 176
Temperature: 0.950000
Total energy: -272.280798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.280798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.280798 (E_RNA)
where:
Base-Base interactions energy: -167.951
where: short stacking energy: -94.816
Base-Backbone interact. energy: -0.024
local terms energy: -104.305674
where:
bonds (distance) C4'-P energy: -24.563
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -312.075517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.075517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.075517 (E_RNA)
where:
Base-Base interactions energy: -208.177
where: short stacking energy: -103.028
Base-Backbone interact. energy: -0.160
local terms energy: -103.738178
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -29.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -252.623112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.623112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.623112 (E_RNA)
where:
Base-Base interactions energy: -147.701
where: short stacking energy: -88.653
Base-Backbone interact. energy: -0.087
local terms energy: -104.834992
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -27.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -248.828584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.828584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.828584 (E_RNA)
where:
Base-Base interactions energy: -142.775
where: short stacking energy: -84.016
Base-Backbone interact. energy: -0.129
local terms energy: -105.924046
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -27.009
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -21.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -223.363982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.363982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.363982 (E_RNA)
where:
Base-Base interactions energy: -135.288
where: short stacking energy: -74.692
Base-Backbone interact. energy: -0.467
local terms energy: -87.608644
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -22.660
flat angles P-C4'-P energy: -13.229
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: 7, replica: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -117.785641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.785641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.785641 (E_RNA)
where:
Base-Base interactions energy: -50.855
where: short stacking energy: -41.001
Base-Backbone interact. energy: -0.512
local terms energy: -66.418875
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -2.178
tors. eta vs tors. theta energy: -3.780
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: 8, replica: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -113.704839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.704839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.704839 (E_RNA)
where:
Base-Base interactions energy: -48.079
where: short stacking energy: -47.816
Base-Backbone interact. energy: -1.054
local terms energy: -64.571862
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -6.531
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: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -118.379472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.379472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.379472 (E_RNA)
where:
Base-Base interactions energy: -44.584
where: short stacking energy: -44.307
Base-Backbone interact. energy: -0.456
local terms energy: -73.338756
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -106.127373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.127373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.127373 (E_RNA)
where:
Base-Base interactions energy: -39.079
where: short stacking energy: -38.932
Base-Backbone interact. energy: -0.187
local terms energy: -66.861123
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -9.298
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: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -319.761122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.761122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.761122 (E_RNA)
where:
Base-Base interactions energy: -208.629
where: short stacking energy: -105.291
Base-Backbone interact. energy: -0.055
local terms energy: -111.077660
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -21.702
flat angles C4'-P-C4' energy: -24.925
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -29.984
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: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -319.101980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.101980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.101980 (E_RNA)
where:
Base-Base interactions energy: -209.213
where: short stacking energy: -97.675
Base-Backbone interact. energy: 0.478
local terms energy: -110.367247
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -26.596
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -29.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -259.917118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.917118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.917118 (E_RNA)
where:
Base-Base interactions energy: -159.466
where: short stacking energy: -82.865
Base-Backbone interact. energy: -0.142
local terms energy: -100.309986
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -21.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -253.758328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.758328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.758328 (E_RNA)
where:
Base-Base interactions energy: -147.913
where: short stacking energy: -91.061
Base-Backbone interact. energy: -0.290
local terms energy: -105.554876
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -23.804
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -24.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -234.047326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.047326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.047326 (E_RNA)
where:
Base-Base interactions energy: -140.227
where: short stacking energy: -82.827
Base-Backbone interact. energy: -0.022
local terms energy: -93.798367
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -22.113
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -23.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -202.065855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.065855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.065855 (E_RNA)
where:
Base-Base interactions energy: -122.213
where: short stacking energy: -62.113
Base-Backbone interact. energy: -0.072
local terms energy: -79.781002
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -130.639823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.639823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.639823 (E_RNA)
where:
Base-Base interactions energy: -49.312
where: short stacking energy: -49.812
Base-Backbone interact. energy: -0.130
local terms energy: -81.197539
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -107.371048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.371048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.371048 (E_RNA)
where:
Base-Base interactions energy: -36.053
where: short stacking energy: -34.547
Base-Backbone interact. energy: -1.283
local terms energy: -70.035650
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -111.867840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.867840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.867840 (E_RNA)
where:
Base-Base interactions energy: -34.181
where: short stacking energy: -30.702
Base-Backbone interact. energy: -1.164
local terms energy: -76.522953
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -111.319431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.319431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.319431 (E_RNA)
where:
Base-Base interactions energy: -40.632
where: short stacking energy: -29.960
Base-Backbone interact. energy: -0.194
local terms energy: -70.494206
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -12.899
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: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -323.108266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.108266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.108266 (E_RNA)
where:
Base-Base interactions energy: -204.902
where: short stacking energy: -109.342
Base-Backbone interact. energy: -1.633
local terms energy: -116.572933
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -23.403
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -30.988
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: 178
Temperature: 0.950000
Total energy: -309.093560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.093560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.093560 (E_RNA)
where:
Base-Base interactions energy: -203.822
where: short stacking energy: -95.649
Base-Backbone interact. energy: -0.655
local terms energy: -104.616682
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -26.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -278.812674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.812674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.812674 (E_RNA)
where:
Base-Base interactions energy: -171.292
where: short stacking energy: -93.329
Base-Backbone interact. energy: -0.171
local terms energy: -107.349965
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -24.952
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -26.794
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: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -255.913059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.913059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.913059 (E_RNA)
where:
Base-Base interactions energy: -157.450
where: short stacking energy: -82.392
Base-Backbone interact. energy: -0.066
local terms energy: -98.396971
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -26.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -232.927350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.927350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.927350 (E_RNA)
where:
Base-Base interactions energy: -124.978
where: short stacking energy: -70.894
Base-Backbone interact. energy: -0.372
local terms energy: -107.577348
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -23.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -184.079542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.079542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.079542 (E_RNA)
where:
Base-Base interactions energy: -100.414
where: short stacking energy: -57.580
Base-Backbone interact. energy: 2.655
local terms energy: -86.320362
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -134.759042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.759042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.759042 (E_RNA)
where:
Base-Base interactions energy: -52.948
where: short stacking energy: -52.216
Base-Backbone interact. energy: -0.197
local terms energy: -81.613987
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -7.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -131.755221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.755221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.755221 (E_RNA)
where:
Base-Base interactions energy: -52.575
where: short stacking energy: -43.101
Base-Backbone interact. energy: -0.482
local terms energy: -78.698216
where:
bonds (distance) C4'-P energy: -21.582
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -11.294
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: 9, replica: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -111.991023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.991023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.991023 (E_RNA)
where:
Base-Base interactions energy: -36.653
where: short stacking energy: -36.653
Base-Backbone interact. energy: 1.414
local terms energy: -76.752791
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -102.822712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.822712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.822712 (E_RNA)
where:
Base-Base interactions energy: -36.607
where: short stacking energy: -29.567
Base-Backbone interact. energy: -0.670
local terms energy: -65.546580
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -4.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -324.089611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.089611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.089611 (E_RNA)
where:
Base-Base interactions energy: -209.947
where: short stacking energy: -111.374
Base-Backbone interact. energy: 0.105
local terms energy: -114.247808
where:
bonds (distance) C4'-P energy: -26.061
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -29.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -323.907408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.907408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.907408 (E_RNA)
where:
Base-Base interactions energy: -208.437
where: short stacking energy: -103.153
Base-Backbone interact. energy: 1.729
local terms energy: -117.199428
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -23.170
flat angles C4'-P-C4' energy: -27.054
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -30.329
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: 179
Temperature: 1.000000
Total energy: -257.540787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.540787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.540787 (E_RNA)
where:
Base-Base interactions energy: -154.041
where: short stacking energy: -81.340
Base-Backbone interact. energy: -0.100
local terms energy: -103.399048
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: -24.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -271.517377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.517377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.517377 (E_RNA)
where:
Base-Base interactions energy: -166.726
where: short stacking energy: -92.468
Base-Backbone interact. energy: -1.211
local terms energy: -103.580199
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -25.318
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: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -241.240533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.240533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.240533 (E_RNA)
where:
Base-Base interactions energy: -135.707
where: short stacking energy: -83.803
Base-Backbone interact. energy: -1.082
local terms energy: -104.451161
where:
bonds (distance) C4'-P energy: -20.759
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -26.011
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -25.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -153.936900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.936900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.936900 (E_RNA)
where:
Base-Base interactions energy: -62.578
where: short stacking energy: -62.578
Base-Backbone interact. energy: -0.342
local terms energy: -91.016806
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -169.095402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.095402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.095402 (E_RNA)
where:
Base-Base interactions energy: -91.451
where: short stacking energy: -57.738
Base-Backbone interact. energy: -0.157
local terms energy: -77.486898
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -11.022
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: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -124.597248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.597248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.597248 (E_RNA)
where:
Base-Base interactions energy: -42.769
where: short stacking energy: -39.819
Base-Backbone interact. energy: -0.255
local terms energy: -81.572738
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -8.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -108.414091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.414091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.414091 (E_RNA)
where:
Base-Base interactions energy: -51.802
where: short stacking energy: -32.369
Base-Backbone interact. energy: -0.194
local terms energy: -56.417728
where:
bonds (distance) C4'-P energy: -21.582
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: 1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -106.107585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.107585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.107585 (E_RNA)
where:
Base-Base interactions energy: -33.797
where: short stacking energy: -33.797
Base-Backbone interact. energy: -0.077
local terms energy: -72.233962
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -4.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -324.295844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.295844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.295844 (E_RNA)
where:
Base-Base interactions energy: -210.123
where: short stacking energy: -109.398
Base-Backbone interact. energy: -0.770
local terms energy: -113.403254
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -22.086
flat angles C4'-P-C4' energy: -27.221
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -30.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -316.945005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.945005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.945005 (E_RNA)
where:
Base-Base interactions energy: -196.046
where: short stacking energy: -101.518
Base-Backbone interact. energy: -0.144
local terms energy: -120.755500
where:
bonds (distance) C4'-P energy: -25.191
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -32.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -273.780320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.780320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.780320 (E_RNA)
where:
Base-Base interactions energy: -166.210
where: short stacking energy: -90.195
Base-Backbone interact. energy: -0.041
local terms energy: -107.528548
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -17.947
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: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -259.432759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.432759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.432759 (E_RNA)
where:
Base-Base interactions energy: -164.587
where: short stacking energy: -93.762
Base-Backbone interact. energy: -0.070
local terms energy: -94.776436
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -238.151753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.151753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.151753 (E_RNA)
where:
Base-Base interactions energy: -138.327
where: short stacking energy: -69.091
Base-Backbone interact. energy: 0.131
local terms energy: -99.956317
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -21.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -143.325598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.325598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.325598 (E_RNA)
where:
Base-Base interactions energy: -48.485
where: short stacking energy: -47.713
Base-Backbone interact. energy: -0.283
local terms energy: -94.557959
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -24.164
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -6.297
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: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -169.146295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.146295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.146295 (E_RNA)
where:
Base-Base interactions energy: -83.954
where: short stacking energy: -55.447
Base-Backbone interact. energy: -0.728
local terms energy: -84.464506
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -20.482
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -11.637
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: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -112.302955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.302955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.302955 (E_RNA)
where:
Base-Base interactions energy: -38.910
where: short stacking energy: -39.010
Base-Backbone interact. energy: 1.808
local terms energy: -75.200840
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -22.407
flat angles P-C4'-P energy: -13.488
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: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -106.386512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.386512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.386512 (E_RNA)
where:
Base-Base interactions energy: -37.768
where: short stacking energy: -35.182
Base-Backbone interact. energy: -0.966
local terms energy: -67.652305
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -22.540
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -111.174813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.174813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.174813 (E_RNA)
where:
Base-Base interactions energy: -43.912
where: short stacking energy: -35.549
Base-Backbone interact. energy: -1.252
local terms energy: -66.011171
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -15.980
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: 181
Temperature: 0.900000
Total energy: -328.552797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.552797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.552797 (E_RNA)
where:
Base-Base interactions energy: -215.251
where: short stacking energy: -109.603
Base-Backbone interact. energy: -0.715
local terms energy: -112.586236
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -24.151
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -31.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -314.144519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.144519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.144519 (E_RNA)
where:
Base-Base interactions energy: -208.215
where: short stacking energy: -108.462
Base-Backbone interact. energy: 0.670
local terms energy: -106.600337
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -27.641
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: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -271.581576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.581576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.581576 (E_RNA)
where:
Base-Base interactions energy: -166.628
where: short stacking energy: -98.616
Base-Backbone interact. energy: -0.020
local terms energy: -104.933344
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -21.737
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -26.821
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: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -240.545917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.545917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.545917 (E_RNA)
where:
Base-Base interactions energy: -141.275
where: short stacking energy: -75.437
Base-Backbone interact. energy: -0.120
local terms energy: -99.150838
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -20.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -251.446827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.446827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.446827 (E_RNA)
where:
Base-Base interactions energy: -156.577
where: short stacking energy: -82.204
Base-Backbone interact. energy: -0.041
local terms energy: -94.828382
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -22.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -122.682000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.682000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.682000 (E_RNA)
where:
Base-Base interactions energy: -42.494
where: short stacking energy: -41.920
Base-Backbone interact. energy: -0.338
local terms energy: -79.850537
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -138.428066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.428066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.428066 (E_RNA)
where:
Base-Base interactions energy: -75.184
where: short stacking energy: -46.523
Base-Backbone interact. energy: -0.079
local terms energy: -63.164710
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -122.089114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.089114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.089114 (E_RNA)
where:
Base-Base interactions energy: -53.669
where: short stacking energy: -53.669
Base-Backbone interact. energy: -0.679
local terms energy: -67.741386
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -132.664433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.664433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.664433 (E_RNA)
where:
Base-Base interactions energy: -49.771
where: short stacking energy: -40.755
Base-Backbone interact. energy: -0.162
local terms energy: -82.731359
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -13.101
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: 10, replica: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -99.265013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.265013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.265013 (E_RNA)
where:
Base-Base interactions energy: -28.640
where: short stacking energy: -26.470
Base-Backbone interact. energy: 0.408
local terms energy: -71.032661
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -319.061078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.061078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.061078 (E_RNA)
where:
Base-Base interactions energy: -199.219
where: short stacking energy: -110.533
Base-Backbone interact. energy: -0.340
local terms energy: -119.501731
where:
bonds (distance) C4'-P energy: -25.845
bonds (distance) P-C4' energy: -24.878
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -30.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -302.891517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.891517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.891517 (E_RNA)
where:
Base-Base interactions energy: -196.300
where: short stacking energy: -92.825
Base-Backbone interact. energy: 0.260
local terms energy: -106.851838
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -28.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -274.190074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.190074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.190074 (E_RNA)
where:
Base-Base interactions energy: -166.649
where: short stacking energy: -87.234
Base-Backbone interact. energy: -0.139
local terms energy: -107.401611
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -23.425
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: -21.351
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: 182
Temperature: 1.050000
Total energy: -231.850463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.850463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.850463 (E_RNA)
where:
Base-Base interactions energy: -136.567
where: short stacking energy: -71.371
Base-Backbone interact. energy: -0.718
local terms energy: -94.565475
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -245.004728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.004728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.004728 (E_RNA)
where:
Base-Base interactions energy: -151.471
where: short stacking energy: -76.744
Base-Backbone interact. energy: -0.107
local terms energy: -93.426735
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -22.571
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -166.201078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.201078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.201078 (E_RNA)
where:
Base-Base interactions energy: -74.948
where: short stacking energy: -44.127
Base-Backbone interact. energy: -0.586
local terms energy: -90.667320
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -24.463
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -146.732235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.732235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.732235 (E_RNA)
where:
Base-Base interactions energy: -67.875
where: short stacking energy: -48.431
Base-Backbone interact. energy: -0.215
local terms energy: -78.641566
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -21.267
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -13.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -119.741190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.741190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.741190 (E_RNA)
where:
Base-Base interactions energy: -54.820
where: short stacking energy: -43.966
Base-Backbone interact. energy: -0.380
local terms energy: -64.541715
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -117.065768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.065768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.065768 (E_RNA)
where:
Base-Base interactions energy: -34.259
where: short stacking energy: -34.259
Base-Backbone interact. energy: -0.254
local terms energy: -82.552610
where:
bonds (distance) C4'-P energy: -22.770
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -10.290
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: 1
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -102.113842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.113842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.113842 (E_RNA)
where:
Base-Base interactions energy: -42.655
where: short stacking energy: -42.296
Base-Backbone interact. energy: -0.301
local terms energy: -59.157605
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -8.973
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -317.102389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.102389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.102389 (E_RNA)
where:
Base-Base interactions energy: -208.245
where: short stacking energy: -115.498
Base-Backbone interact. energy: -3.693
local terms energy: -105.164107
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -21.385
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -32.126
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: 183
Temperature: 0.950000
Total energy: -312.915840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.915840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.915840 (E_RNA)
where:
Base-Base interactions energy: -199.523
where: short stacking energy: -96.368
Base-Backbone interact. energy: -1.193
local terms energy: -112.199707
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -24.538
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -29.370
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: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -266.333112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.333112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.333112 (E_RNA)
where:
Base-Base interactions energy: -162.031
where: short stacking energy: -96.617
Base-Backbone interact. energy: -0.209
local terms energy: -104.093390
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -25.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -258.543132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.543132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.543132 (E_RNA)
where:
Base-Base interactions energy: -154.095
where: short stacking energy: -91.681
Base-Backbone interact. energy: -0.672
local terms energy: -103.775305
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -25.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -235.361309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.361309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.361309 (E_RNA)
where:
Base-Base interactions energy: -144.492
where: short stacking energy: -83.309
Base-Backbone interact. energy: -0.330
local terms energy: -90.539319
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -134.015944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.015944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.015944 (E_RNA)
where:
Base-Base interactions energy: -55.843
where: short stacking energy: -29.501
Base-Backbone interact. energy: -0.313
local terms energy: -77.859912
where:
bonds (distance) C4'-P energy: -23.371
bonds (distance) P-C4' energy: -24.714
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: 0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -129.823126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.823126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.823126 (E_RNA)
where:
Base-Base interactions energy: -58.307
where: short stacking energy: -57.905
Base-Backbone interact. energy: -0.165
local terms energy: -71.351183
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -10.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -129.159577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.159577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.159577 (E_RNA)
where:
Base-Base interactions energy: -44.638
where: short stacking energy: -46.338
Base-Backbone interact. energy: -0.304
local terms energy: -84.217699
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -23.668
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -8.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -112.393376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.393376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.393376 (E_RNA)
where:
Base-Base interactions energy: -46.505
where: short stacking energy: -46.505
Base-Backbone interact. energy: -0.265
local terms energy: -65.623262
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -8.298
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: 1
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -108.406021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.406021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.406021 (E_RNA)
where:
Base-Base interactions energy: -32.710
where: short stacking energy: -32.352
Base-Backbone interact. energy: -0.032
local terms energy: -75.663945
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -26.165
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: 1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -321.097707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.097707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.097707 (E_RNA)
where:
Base-Base interactions energy: -206.218
where: short stacking energy: -105.036
Base-Backbone interact. energy: 0.161
local terms energy: -115.041098
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -22.198
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -31.304
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: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -319.240377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.240377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.240377 (E_RNA)
where:
Base-Base interactions energy: -197.486
where: short stacking energy: -109.605
Base-Backbone interact. energy: -0.383
local terms energy: -121.371344
where:
bonds (distance) C4'-P energy: -23.366
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -24.585
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -29.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -248.645441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.645441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.645441 (E_RNA)
where:
Base-Base interactions energy: -142.620
where: short stacking energy: -75.726
Base-Backbone interact. energy: -0.023
local terms energy: -106.002510
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -25.273
flat angles C4'-P-C4' energy: -23.689
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -23.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -256.225233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.225233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.225233 (E_RNA)
where:
Base-Base interactions energy: -159.332
where: short stacking energy: -86.153
Base-Backbone interact. energy: -0.206
local terms energy: -96.687236
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -24.933
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -20.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -233.559313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.559313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.559313 (E_RNA)
where:
Base-Base interactions energy: -135.720
where: short stacking energy: -79.475
Base-Backbone interact. energy: -0.368
local terms energy: -97.471063
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -22.132
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -22.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -164.790442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.790442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.790442 (E_RNA)
where:
Base-Base interactions energy: -75.042
where: short stacking energy: -57.702
Base-Backbone interact. energy: -1.079
local terms energy: -88.669601
where:
bonds (distance) C4'-P energy: -25.349
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -11.073
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: 184
Temperature: 1.200000
Total energy: -142.794838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.794838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.794838 (E_RNA)
where:
Base-Base interactions energy: -59.052
where: short stacking energy: -56.122
Base-Backbone interact. energy: -0.044
local terms energy: -83.698850
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -19.880
flat angles P-C4'-P energy: -8.950
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: 8, replica: 5
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -126.277512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.277512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.277512 (E_RNA)
where:
Base-Base interactions energy: -43.317
where: short stacking energy: -41.782
Base-Backbone interact. energy: 0.577
local terms energy: -83.536908
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -9.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -97.413616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.413616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.413616 (E_RNA)
where:
Base-Base interactions energy: -29.804
where: short stacking energy: -29.804
Base-Backbone interact. energy: -0.461
local terms energy: -67.148658
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -1.568
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: 10, replica: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -102.469773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.469773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.469773 (E_RNA)
where:
Base-Base interactions energy: -26.434
where: short stacking energy: -28.734
Base-Backbone interact. energy: -0.182
local terms energy: -75.854363
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -9.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -328.415416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.415416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.415416 (E_RNA)
where:
Base-Base interactions energy: -217.121
where: short stacking energy: -110.907
Base-Backbone interact. energy: 1.408
local terms energy: -112.702192
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -19.975
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -32.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -274.691975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.691975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.691975 (E_RNA)
where:
Base-Base interactions energy: -165.583
where: short stacking energy: -99.112
Base-Backbone interact. energy: -0.635
local terms energy: -108.474306
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -27.696
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: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -299.460783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.460783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.460783 (E_RNA)
where:
Base-Base interactions energy: -187.540
where: short stacking energy: -94.446
Base-Backbone interact. energy: -1.431
local terms energy: -110.489436
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -23.581
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -28.178
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: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -248.261143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.261143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.261143 (E_RNA)
where:
Base-Base interactions energy: -149.532
where: short stacking energy: -82.446
Base-Backbone interact. energy: -0.090
local terms energy: -98.639521
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -22.898
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -245.993292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.993292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.993292 (E_RNA)
where:
Base-Base interactions energy: -144.096
where: short stacking energy: -81.698
Base-Backbone interact. energy: -1.670
local terms energy: -100.227636
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: -19.015
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: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -171.100345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.100345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.100345 (E_RNA)
where:
Base-Base interactions energy: -86.379
where: short stacking energy: -51.407
Base-Backbone interact. energy: 2.635
local terms energy: -87.356020
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -152.263115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.263115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.263115 (E_RNA)
where:
Base-Base interactions energy: -71.280
where: short stacking energy: -53.713
Base-Backbone interact. energy: -0.294
local terms energy: -80.688963
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -10.255
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: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -113.222322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.222322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.222322 (E_RNA)
where:
Base-Base interactions energy: -46.554
where: short stacking energy: -40.934
Base-Backbone interact. energy: -0.311
local terms energy: -66.357879
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -10.829
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: 185
Temperature: 1.300000
Total energy: -107.365646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.365646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.365646 (E_RNA)
where:
Base-Base interactions energy: -39.057
where: short stacking energy: -29.676
Base-Backbone interact. energy: -0.630
local terms energy: -67.678301
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -25.037
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -1.143
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: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -104.014925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.014925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.014925 (E_RNA)
where:
Base-Base interactions energy: -34.441
where: short stacking energy: -36.141
Base-Backbone interact. energy: -0.236
local terms energy: -69.337536
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -7.951
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -10.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -321.448478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.448478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.448478 (E_RNA)
where:
Base-Base interactions energy: -200.092
where: short stacking energy: -105.014
Base-Backbone interact. energy: -0.032
local terms energy: -121.324209
where:
bonds (distance) C4'-P energy: -25.038
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -25.968
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -30.736
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: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -263.451832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.451832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.451832 (E_RNA)
where:
Base-Base interactions energy: -159.237
where: short stacking energy: -90.072
Base-Backbone interact. energy: -0.643
local terms energy: -103.572126
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -25.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -310.867734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.867734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.867734 (E_RNA)
where:
Base-Base interactions energy: -203.305
where: short stacking energy: -103.067
Base-Backbone interact. energy: -0.262
local terms energy: -107.300359
where:
bonds (distance) C4'-P energy: -25.578
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -30.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -247.420323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.420323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.420323 (E_RNA)
where:
Base-Base interactions energy: -142.595
where: short stacking energy: -81.271
Base-Backbone interact. energy: -0.121
local terms energy: -104.703958
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -25.540
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -21.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -240.116807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.116807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.116807 (E_RNA)
where:
Base-Base interactions energy: -148.770
where: short stacking energy: -62.663
Base-Backbone interact. energy: -0.783
local terms energy: -90.563419
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -133.116274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.116274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.116274 (E_RNA)
where:
Base-Base interactions energy: -52.572
where: short stacking energy: -50.284
Base-Backbone interact. energy: -0.190
local terms energy: -80.354731
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -17.727
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -125.902844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.902844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.902844 (E_RNA)
where:
Base-Base interactions energy: -51.228
where: short stacking energy: -36.678
Base-Backbone interact. energy: 0.850
local terms energy: -75.524186
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -138.043634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.043634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.043634 (E_RNA)
where:
Base-Base interactions energy: -70.239
where: short stacking energy: -49.516
Base-Backbone interact. energy: -0.047
local terms energy: -67.757574
where:
bonds (distance) C4'-P energy: -20.456
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -112.960980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.960980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.960980 (E_RNA)
where:
Base-Base interactions energy: -38.476
where: short stacking energy: -23.859
Base-Backbone interact. energy: -0.327
local terms energy: -74.157947
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -112.696107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.696107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.696107 (E_RNA)
where:
Base-Base interactions energy: -42.492
where: short stacking energy: -38.519
Base-Backbone interact. energy: -0.783
local terms energy: -69.421095
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -323.358138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.358138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.358138 (E_RNA)
where:
Base-Base interactions energy: -207.673
where: short stacking energy: -107.649
Base-Backbone interact. energy: -0.102
local terms energy: -115.582762
where:
bonds (distance) C4'-P energy: -24.692
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -16.969
tors. eta vs tors. theta energy: -32.413
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: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -317.757714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.757714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.757714 (E_RNA)
where:
Base-Base interactions energy: -202.378
where: short stacking energy: -99.266
Base-Backbone interact. energy: -0.159
local terms energy: -115.220219
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -30.470
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: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -262.572082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.572082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.572082 (E_RNA)
where:
Base-Base interactions energy: -155.072
where: short stacking energy: -86.028
Base-Backbone interact. energy: -0.182
local terms energy: -107.317730
where:
bonds (distance) C4'-P energy: -24.769
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -24.562
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: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -246.626753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.626753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.626753 (E_RNA)
where:
Base-Base interactions energy: -152.028
where: short stacking energy: -81.535
Base-Backbone interact. energy: -0.104
local terms energy: -94.494511
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -235.111573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.111573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.111573 (E_RNA)
where:
Base-Base interactions energy: -149.209
where: short stacking energy: -71.660
Base-Backbone interact. energy: -0.406
local terms energy: -85.497116
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -13.974
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: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -141.514009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.514009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.514009 (E_RNA)
where:
Base-Base interactions energy: -56.108
where: short stacking energy: -56.508
Base-Backbone interact. energy: 0.141
local terms energy: -85.546982
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -19.698
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -12.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -120.506934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.506934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.506934 (E_RNA)
where:
Base-Base interactions energy: -49.591
where: short stacking energy: -40.338
Base-Backbone interact. energy: -0.299
local terms energy: -70.617283
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -2.270
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: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -115.414931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.414931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.414931 (E_RNA)
where:
Base-Base interactions energy: -43.425
where: short stacking energy: -43.425
Base-Backbone interact. energy: -0.128
local terms energy: -71.861632
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -25.076
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -8.695
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: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -114.785498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.785498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.785498 (E_RNA)
where:
Base-Base interactions energy: -38.433
where: short stacking energy: -31.676
Base-Backbone interact. energy: -0.544
local terms energy: -75.809014
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -20.181
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -7.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -99.939156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.939156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.939156 (E_RNA)
where:
Base-Base interactions energy: -32.829
where: short stacking energy: -32.829
Base-Backbone interact. energy: 7.458
local terms energy: -74.568498
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -325.641730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.641730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.641730 (E_RNA)
where:
Base-Base interactions energy: -204.287
where: short stacking energy: -115.920
Base-Backbone interact. energy: -0.011
local terms energy: -121.343739
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -21.754
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -34.463
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: 188
Temperature: 0.950000
Total energy: -304.709582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.709582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.709582 (E_RNA)
where:
Base-Base interactions energy: -199.022
where: short stacking energy: -103.594
Base-Backbone interact. energy: 0.082
local terms energy: -105.769740
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -25.122
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -26.962
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: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -259.041747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.041747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.041747 (E_RNA)
where:
Base-Base interactions energy: -147.136
where: short stacking energy: -80.227
Base-Backbone interact. energy: -0.208
local terms energy: -111.698445
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -21.540
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: 4, replica: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -268.962920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.962920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.962920 (E_RNA)
where:
Base-Base interactions energy: -164.378
where: short stacking energy: -95.360
Base-Backbone interact. energy: -0.196
local terms energy: -104.389221
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: -29.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -270.627223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.627223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.627223 (E_RNA)
where:
Base-Base interactions energy: -162.505
where: short stacking energy: -83.311
Base-Backbone interact. energy: -0.144
local terms energy: -107.978539
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -23.016
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -25.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -147.489538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.489538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.489538 (E_RNA)
where:
Base-Base interactions energy: -71.860
where: short stacking energy: -50.620
Base-Backbone interact. energy: -0.358
local terms energy: -75.271445
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -10.944
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: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -128.283008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.283008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.283008 (E_RNA)
where:
Base-Base interactions energy: -55.558
where: short stacking energy: -55.558
Base-Backbone interact. energy: 1.995
local terms energy: -74.719928
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -13.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -123.231802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.231802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.231802 (E_RNA)
where:
Base-Base interactions energy: -48.409
where: short stacking energy: -45.144
Base-Backbone interact. energy: -0.749
local terms energy: -74.074785
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -2.357
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: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -127.439690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.439690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.439690 (E_RNA)
where:
Base-Base interactions energy: -49.052
where: short stacking energy: -48.018
Base-Backbone interact. energy: 0.508
local terms energy: -78.895217
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -93.993248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.993248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.993248 (E_RNA)
where:
Base-Base interactions energy: -26.425
where: short stacking energy: -21.374
Base-Backbone interact. energy: -0.406
local terms energy: -67.162160
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: 4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -330.738459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.738459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.738459 (E_RNA)
where:
Base-Base interactions energy: -215.987
where: short stacking energy: -108.227
Base-Backbone interact. energy: -0.046
local terms energy: -114.704735
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -25.236
flat angles P-C4'-P energy: -18.630
tors. eta vs tors. theta energy: -31.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -292.258184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.258184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.258184 (E_RNA)
where:
Base-Base interactions energy: -183.740
where: short stacking energy: -103.573
Base-Backbone interact. energy: -1.157
local terms energy: -107.360482
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -17.187
tors. eta vs tors. theta energy: -27.661
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: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -256.369760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.369760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.369760 (E_RNA)
where:
Base-Base interactions energy: -152.848
where: short stacking energy: -90.167
Base-Backbone interact. energy: 0.274
local terms energy: -103.795995
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -26.026
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -20.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -282.195820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.195820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.195820 (E_RNA)
where:
Base-Base interactions energy: -185.216
where: short stacking energy: -90.875
Base-Backbone interact. energy: -0.259
local terms energy: -96.720864
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -24.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -240.318099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.318099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.318099 (E_RNA)
where:
Base-Base interactions energy: -147.384
where: short stacking energy: -77.940
Base-Backbone interact. energy: -0.791
local terms energy: -92.142920
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -10.425
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: 6, replica: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -152.906077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.906077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.906077 (E_RNA)
where:
Base-Base interactions energy: -65.231
where: short stacking energy: -61.358
Base-Backbone interact. energy: -0.182
local terms energy: -87.493724
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -129.406003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.406003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.406003 (E_RNA)
where:
Base-Base interactions energy: -51.155
where: short stacking energy: -38.612
Base-Backbone interact. energy: -0.257
local terms energy: -77.993827
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -11.990
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: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -135.117955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.117955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.117955 (E_RNA)
where:
Base-Base interactions energy: -59.534
where: short stacking energy: -48.827
Base-Backbone interact. energy: 0.901
local terms energy: -76.484035
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -6.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -114.760512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.760512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.760512 (E_RNA)
where:
Base-Base interactions energy: -40.185
where: short stacking energy: -36.994
Base-Backbone interact. energy: -0.025
local terms energy: -74.549831
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -111.831631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.831631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.831631 (E_RNA)
where:
Base-Base interactions energy: -39.153
where: short stacking energy: -31.154
Base-Backbone interact. energy: 0.161
local terms energy: -72.840042
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -21.441
flat angles C4'-P-C4' energy: -8.169
flat angles P-C4'-P energy: -13.962
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: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -323.805108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.805108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.805108 (E_RNA)
where:
Base-Base interactions energy: -207.110
where: short stacking energy: -106.528
Base-Backbone interact. energy: -0.669
local terms energy: -116.025435
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -16.989
tors. eta vs tors. theta energy: -33.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -299.983797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.983797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.983797 (E_RNA)
where:
Base-Base interactions energy: -184.670
where: short stacking energy: -94.148
Base-Backbone interact. energy: -0.160
local terms energy: -115.153713
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -26.519
flat angles P-C4'-P energy: -18.320
tors. eta vs tors. theta energy: -26.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -281.070128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.070128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.070128 (E_RNA)
where:
Base-Base interactions energy: -169.310
where: short stacking energy: -96.454
Base-Backbone interact. energy: 0.204
local terms energy: -111.964248
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -23.770
flat angles C4'-P-C4' energy: -21.640
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -26.489
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: 4, replica: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -249.340203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.340203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.340203 (E_RNA)
where:
Base-Base interactions energy: -150.879
where: short stacking energy: -82.380
Base-Backbone interact. energy: -0.234
local terms energy: -98.227002
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -22.363
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -259.711205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.711205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.711205 (E_RNA)
where:
Base-Base interactions energy: -165.833
where: short stacking energy: -91.192
Base-Backbone interact. energy: -0.146
local terms energy: -93.732585
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -126.112964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.112964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.112964 (E_RNA)
where:
Base-Base interactions energy: -47.531
where: short stacking energy: -47.831
Base-Backbone interact. energy: -0.427
local terms energy: -78.155213
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -24.554
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -116.512492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.512492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.512492 (E_RNA)
where:
Base-Base interactions energy: -50.237
where: short stacking energy: -48.701
Base-Backbone interact. energy: 0.080
local terms energy: -66.355191
where:
bonds (distance) C4'-P energy: -22.165
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: 9.841
tors. eta vs tors. theta energy: -12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -116.203149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.203149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.203149 (E_RNA)
where:
Base-Base interactions energy: -44.311
where: short stacking energy: -36.169
Base-Backbone interact. energy: 0.983
local terms energy: -72.874957
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -12.593
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: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -117.405889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.405889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.405889 (E_RNA)
where:
Base-Base interactions energy: -45.869
where: short stacking energy: -43.270
Base-Backbone interact. energy: -0.679
local terms energy: -70.858334
where:
bonds (distance) C4'-P energy: -20.849
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -7.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -102.010406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.010406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.010406 (E_RNA)
where:
Base-Base interactions energy: -28.965
where: short stacking energy: -26.773
Base-Backbone interact. energy: -0.185
local terms energy: -72.860635
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -326.637745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.637745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.637745 (E_RNA)
where:
Base-Base interactions energy: -209.654
where: short stacking energy: -101.151
Base-Backbone interact. energy: -0.179
local terms energy: -116.804738
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -29.127
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: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -308.283956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.283956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.283956 (E_RNA)
where:
Base-Base interactions energy: -197.620
where: short stacking energy: -103.841
Base-Backbone interact. energy: -0.184
local terms energy: -110.479670
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -24.441
flat angles C4'-P-C4' energy: -23.341
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -27.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -276.889668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.889668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.889668 (E_RNA)
where:
Base-Base interactions energy: -174.664
where: short stacking energy: -93.873
Base-Backbone interact. energy: -0.398
local terms energy: -101.827513
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -21.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -253.598036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.598036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.598036 (E_RNA)
where:
Base-Base interactions energy: -147.595
where: short stacking energy: -89.184
Base-Backbone interact. energy: -0.704
local terms energy: -105.298535
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -26.411
flat angles C4'-P-C4' energy: -25.416
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -19.052
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: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -245.399771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.399771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.399771 (E_RNA)
where:
Base-Base interactions energy: -149.321
where: short stacking energy: -78.228
Base-Backbone interact. energy: 0.374
local terms energy: -96.452145
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -19.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -142.750096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.750096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.750096 (E_RNA)
where:
Base-Base interactions energy: -60.602
where: short stacking energy: -60.602
Base-Backbone interact. energy: 0.337
local terms energy: -82.485397
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -20.871
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -121.468652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.468652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.468652 (E_RNA)
where:
Base-Base interactions energy: -50.319
where: short stacking energy: -44.682
Base-Backbone interact. energy: -0.532
local terms energy: -70.617717
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -23.618
flat angles P-C4'-P energy: -11.003
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: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -120.362287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.362287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.362287 (E_RNA)
where:
Base-Base interactions energy: -52.864
where: short stacking energy: -38.208
Base-Backbone interact. energy: 0.311
local terms energy: -67.809525
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -115.778847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.778847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.778847 (E_RNA)
where:
Base-Base interactions energy: -55.617
where: short stacking energy: -41.545
Base-Backbone interact. energy: -1.893
local terms energy: -58.268549
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -11.046
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: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -102.571585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.571585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.571585 (E_RNA)
where:
Base-Base interactions energy: -41.971
where: short stacking energy: -24.223
Base-Backbone interact. energy: -0.292
local terms energy: -60.309195
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: 5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -321.524681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.524681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.524681 (E_RNA)
where:
Base-Base interactions energy: -203.820
where: short stacking energy: -102.444
Base-Backbone interact. energy: -0.028
local terms energy: -117.676809
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -30.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -294.226690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.226690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.226690 (E_RNA)
where:
Base-Base interactions energy: -180.531
where: short stacking energy: -90.932
Base-Backbone interact. energy: -1.749
local terms energy: -111.947103
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -24.601
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -29.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -270.971421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.971421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.971421 (E_RNA)
where:
Base-Base interactions energy: -168.045
where: short stacking energy: -91.677
Base-Backbone interact. energy: -0.130
local terms energy: -102.796231
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -27.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -256.786832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.786832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.786832 (E_RNA)
where:
Base-Base interactions energy: -158.885
where: short stacking energy: -77.978
Base-Backbone interact. energy: 0.544
local terms energy: -98.445980
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -22.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -245.405174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.405174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.405174 (E_RNA)
where:
Base-Base interactions energy: -154.160
where: short stacking energy: -77.600
Base-Backbone interact. energy: 0.797
local terms energy: -92.042136
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -24.541
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -16.376
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: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -137.922486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.922486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.922486 (E_RNA)
where:
Base-Base interactions energy: -59.187
where: short stacking energy: -59.187
Base-Backbone interact. energy: 1.043
local terms energy: -79.778635
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -11.359
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: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -125.302338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.302338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.302338 (E_RNA)
where:
Base-Base interactions energy: -62.647
where: short stacking energy: -55.092
Base-Backbone interact. energy: -0.203
local terms energy: -62.453266
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -2.854
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: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -117.384721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.384721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.384721 (E_RNA)
where:
Base-Base interactions energy: -44.004
where: short stacking energy: -44.004
Base-Backbone interact. energy: -0.263
local terms energy: -73.118201
where:
bonds (distance) C4'-P energy: -21.107
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -114.720978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.720978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.720978 (E_RNA)
where:
Base-Base interactions energy: -35.900
where: short stacking energy: -35.900
Base-Backbone interact. energy: 0.199
local terms energy: -79.020496
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -104.481446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.481446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.481446 (E_RNA)
where:
Base-Base interactions energy: -31.373
where: short stacking energy: -31.373
Base-Backbone interact. energy: -0.333
local terms energy: -72.775244
where:
bonds (distance) C4'-P energy: -22.981
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -322.159148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.159148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.159148 (E_RNA)
where:
Base-Base interactions energy: -207.447
where: short stacking energy: -101.948
Base-Backbone interact. energy: -0.140
local terms energy: -114.571265
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -24.152
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -30.527
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: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -288.820675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.820675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.820675 (E_RNA)
where:
Base-Base interactions energy: -185.801
where: short stacking energy: -82.919
Base-Backbone interact. energy: -0.617
local terms energy: -102.402975
where:
bonds (distance) C4'-P energy: -21.723
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -10.770
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: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -285.666545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.666545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.666545 (E_RNA)
where:
Base-Base interactions energy: -170.400
where: short stacking energy: -93.956
Base-Backbone interact. energy: -0.065
local terms energy: -115.200829
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -27.584
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -28.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -251.206165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.206165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.206165 (E_RNA)
where:
Base-Base interactions energy: -153.035
where: short stacking energy: -77.811
Base-Backbone interact. energy: -0.375
local terms energy: -97.795655
where:
bonds (distance) C4'-P energy: -23.751
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -245.730341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.730341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.730341 (E_RNA)
where:
Base-Base interactions energy: -147.429
where: short stacking energy: -68.906
Base-Backbone interact. energy: 0.402
local terms energy: -98.703106
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -168.485836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.485836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.485836 (E_RNA)
where:
Base-Base interactions energy: -85.056
where: short stacking energy: -58.669
Base-Backbone interact. energy: -0.260
local terms energy: -83.169941
where:
bonds (distance) C4'-P energy: -22.580
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -7.704
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: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -118.172905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.172905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.172905 (E_RNA)
where:
Base-Base interactions energy: -45.174
where: short stacking energy: -44.005
Base-Backbone interact. energy: -0.129
local terms energy: -72.870414
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -4.507
tors. eta vs tors. theta energy: -10.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -127.407195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.407195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.407195 (E_RNA)
where:
Base-Base interactions energy: -41.123
where: short stacking energy: -34.194
Base-Backbone interact. energy: -0.259
local terms energy: -86.024374
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -14.270
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: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -111.838212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.838212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.838212 (E_RNA)
where:
Base-Base interactions energy: -47.087
where: short stacking energy: -47.087
Base-Backbone interact. energy: -0.103
local terms energy: -64.648207
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -3.863
tors. eta vs tors. theta energy: -6.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -100.056013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.056013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.056013 (E_RNA)
where:
Base-Base interactions energy: -27.913
where: short stacking energy: -27.913
Base-Backbone interact. energy: 3.279
local terms energy: -75.421811
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -324.275858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.275858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.275858 (E_RNA)
where:
Base-Base interactions energy: -204.758
where: short stacking energy: -107.193
Base-Backbone interact. energy: -1.138
local terms energy: -118.379494
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -20.465
tors. eta vs tors. theta energy: -30.265
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: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -292.571374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.571374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.571374 (E_RNA)
where:
Base-Base interactions energy: -181.323
where: short stacking energy: -89.985
Base-Backbone interact. energy: -0.032
local terms energy: -111.217225
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -29.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -262.440853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.440853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.440853 (E_RNA)
where:
Base-Base interactions energy: -157.196
where: short stacking energy: -82.328
Base-Backbone interact. energy: -0.200
local terms energy: -105.044575
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -19.990
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -233.983523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.983523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.983523 (E_RNA)
where:
Base-Base interactions energy: -137.409
where: short stacking energy: -67.491
Base-Backbone interact. energy: -0.582
local terms energy: -95.992025
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -24.088
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -220.052315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.052315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.052315 (E_RNA)
where:
Base-Base interactions energy: -124.066
where: short stacking energy: -61.743
Base-Backbone interact. energy: -0.203
local terms energy: -95.783400
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -22.755
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -226.708889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.708889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.708889 (E_RNA)
where:
Base-Base interactions energy: -132.472
where: short stacking energy: -68.568
Base-Backbone interact. energy: -0.045
local terms energy: -94.191904
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -26.639
flat angles P-C4'-P energy: -15.472
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: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -129.130425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.130425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.130425 (E_RNA)
where:
Base-Base interactions energy: -47.544
where: short stacking energy: -47.544
Base-Backbone interact. energy: 0.267
local terms energy: -81.852861
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -117.781409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.781409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.781409 (E_RNA)
where:
Base-Base interactions energy: -46.664
where: short stacking energy: -46.664
Base-Backbone interact. energy: -0.743
local terms energy: -70.374112
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -114.442222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.442222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.442222 (E_RNA)
where:
Base-Base interactions energy: -46.194
where: short stacking energy: -35.431
Base-Backbone interact. energy: -0.206
local terms energy: -68.042648
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -23.513
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -0.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -124.613316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.613316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.613316 (E_RNA)
where:
Base-Base interactions energy: -52.911
where: short stacking energy: -49.039
Base-Backbone interact. energy: -0.355
local terms energy: -71.347279
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -26.193
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -0.426
tors. eta vs tors. theta energy: -10.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -322.364172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.364172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.364172 (E_RNA)
where:
Base-Base interactions energy: -206.256
where: short stacking energy: -99.858
Base-Backbone interact. energy: -1.728
local terms energy: -114.379383
where:
bonds (distance) C4'-P energy: -25.044
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -25.507
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -29.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -281.892257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.892257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.892257 (E_RNA)
where:
Base-Base interactions energy: -182.939
where: short stacking energy: -91.159
Base-Backbone interact. energy: -1.953
local terms energy: -97.000669
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -20.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -272.822872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.822872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.822872 (E_RNA)
where:
Base-Base interactions energy: -157.499
where: short stacking energy: -97.699
Base-Backbone interact. energy: -2.011
local terms energy: -113.313544
where:
bonds (distance) C4'-P energy: -23.487
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -29.744
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: 195
Temperature: 1.050000
Total energy: -246.697117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.697117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.697117 (E_RNA)
where:
Base-Base interactions energy: -149.648
where: short stacking energy: -71.852
Base-Backbone interact. energy: -0.319
local terms energy: -96.730113
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -240.010478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.010478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.010478 (E_RNA)
where:
Base-Base interactions energy: -143.048
where: short stacking energy: -76.023
Base-Backbone interact. energy: -0.488
local terms energy: -96.474387
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -226.447762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.447762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.447762 (E_RNA)
where:
Base-Base interactions energy: -133.016
where: short stacking energy: -65.718
Base-Backbone interact. energy: -0.089
local terms energy: -93.342868
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -21.580
flat angles P-C4'-P energy: -13.566
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: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -131.976831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.976831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.976831 (E_RNA)
where:
Base-Base interactions energy: -53.782
where: short stacking energy: -53.248
Base-Backbone interact. energy: -0.218
local terms energy: -77.976108
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -17.221
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: 3
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -116.405916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.405916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.405916 (E_RNA)
where:
Base-Base interactions energy: -31.175
where: short stacking energy: -31.175
Base-Backbone interact. energy: -1.087
local terms energy: -84.143591
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -27.538
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -12.497
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: 9, replica: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -109.788569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.788569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.788569 (E_RNA)
where:
Base-Base interactions energy: -41.236
where: short stacking energy: -32.732
Base-Backbone interact. energy: 0.099
local terms energy: -68.651515
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: 2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -108.998691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.998691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.998691 (E_RNA)
where:
Base-Base interactions energy: -50.355
where: short stacking energy: -26.567
Base-Backbone interact. energy: -0.828
local terms energy: -57.815421
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -4.932
tors. eta vs tors. theta energy: 0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -315.425646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.425646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.425646 (E_RNA)
where:
Base-Base interactions energy: -198.147
where: short stacking energy: -95.718
Base-Backbone interact. energy: -0.243
local terms energy: -117.036457
where:
bonds (distance) C4'-P energy: -24.517
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -25.425
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: -27.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -299.160088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.160088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.160088 (E_RNA)
where:
Base-Base interactions energy: -184.961
where: short stacking energy: -108.032
Base-Backbone interact. energy: -0.213
local terms energy: -113.986302
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -25.377
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -16.453
tors. eta vs tors. theta energy: -28.181
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: 196
Temperature: 1.000000
Total energy: -258.081131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.081131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.081131 (E_RNA)
where:
Base-Base interactions energy: -158.055
where: short stacking energy: -87.544
Base-Backbone interact. energy: -0.202
local terms energy: -99.824688
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -21.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -260.596009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.596009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.596009 (E_RNA)
where:
Base-Base interactions energy: -159.694
where: short stacking energy: -90.552
Base-Backbone interact. energy: -0.622
local terms energy: -100.279744
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -26.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -228.287724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.287724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.287724 (E_RNA)
where:
Base-Base interactions energy: -129.555
where: short stacking energy: -75.795
Base-Backbone interact. energy: -1.979
local terms energy: -96.754088
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -22.467
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: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -213.206208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.206208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.206208 (E_RNA)
where:
Base-Base interactions energy: -120.757
where: short stacking energy: -67.043
Base-Backbone interact. energy: -0.804
local terms energy: -91.645318
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -127.308891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.308891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.308891 (E_RNA)
where:
Base-Base interactions energy: -47.718
where: short stacking energy: -43.165
Base-Backbone interact. energy: 0.238
local terms energy: -79.829180
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -7.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -121.725685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.725685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.725685 (E_RNA)
where:
Base-Base interactions energy: -44.322
where: short stacking energy: -43.713
Base-Backbone interact. energy: -0.011
local terms energy: -77.391811
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -113.390743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.390743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.390743 (E_RNA)
where:
Base-Base interactions energy: -38.022
where: short stacking energy: -37.127
Base-Backbone interact. energy: -0.321
local terms energy: -75.047690
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -26.266
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: 3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -109.444365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.444365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.444365 (E_RNA)
where:
Base-Base interactions energy: -42.129
where: short stacking energy: -37.714
Base-Backbone interact. energy: 1.650
local terms energy: -68.965386
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -321.898991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.898991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.898991 (E_RNA)
where:
Base-Base interactions energy: -213.167
where: short stacking energy: -110.135
Base-Backbone interact. energy: -0.394
local terms energy: -108.338425
where:
bonds (distance) C4'-P energy: -26.118
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -29.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -293.529267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.529267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.529267 (E_RNA)
where:
Base-Base interactions energy: -185.117
where: short stacking energy: -103.037
Base-Backbone interact. energy: -0.012
local terms energy: -108.399520
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -28.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -292.255708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.255708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.255708 (E_RNA)
where:
Base-Base interactions energy: -183.657
where: short stacking energy: -89.745
Base-Backbone interact. energy: -0.117
local terms energy: -108.481957
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -24.082
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -24.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -238.430980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.430980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.430980 (E_RNA)
where:
Base-Base interactions energy: -142.266
where: short stacking energy: -82.674
Base-Backbone interact. energy: -0.174
local terms energy: -95.991635
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: -22.699
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: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -245.465004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.465004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.465004 (E_RNA)
where:
Base-Base interactions energy: -154.996
where: short stacking energy: -80.798
Base-Backbone interact. energy: -0.205
local terms energy: -90.263547
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -19.328
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -218.198412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.198412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.198412 (E_RNA)
where:
Base-Base interactions energy: -128.531
where: short stacking energy: -71.425
Base-Backbone interact. energy: -0.181
local terms energy: -89.486171
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -137.442422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.442422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.442422 (E_RNA)
where:
Base-Base interactions energy: -65.872
where: short stacking energy: -34.993
Base-Backbone interact. energy: -0.314
local terms energy: -71.255974
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -127.092251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.092251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.092251 (E_RNA)
where:
Base-Base interactions energy: -50.506
where: short stacking energy: -45.745
Base-Backbone interact. energy: 0.455
local terms energy: -77.040909
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -106.473691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.473691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.473691 (E_RNA)
where:
Base-Base interactions energy: -38.568
where: short stacking energy: -38.568
Base-Backbone interact. energy: -0.129
local terms energy: -67.776927
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -22.698
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -6.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -104.243467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.243467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.243467 (E_RNA)
where:
Base-Base interactions energy: -39.469
where: short stacking energy: -32.561
Base-Backbone interact. energy: 3.206
local terms energy: -67.981137
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -326.653878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.653878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.653878 (E_RNA)
where:
Base-Base interactions energy: -207.402
where: short stacking energy: -109.009
Base-Backbone interact. energy: -0.088
local terms energy: -119.163802
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -23.343
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -17.130
tors. eta vs tors. theta energy: -32.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -304.358673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.358673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.358673 (E_RNA)
where:
Base-Base interactions energy: -176.651
where: short stacking energy: -109.229
Base-Backbone interact. energy: -0.013
local terms energy: -127.694799
where:
bonds (distance) C4'-P energy: -26.400
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -27.513
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: -29.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -279.191093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.191093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.191093 (E_RNA)
where:
Base-Base interactions energy: -183.048
where: short stacking energy: -79.510
Base-Backbone interact. energy: -0.379
local terms energy: -95.763219
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -245.359922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.359922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.359922 (E_RNA)
where:
Base-Base interactions energy: -145.067
where: short stacking energy: -78.104
Base-Backbone interact. energy: -0.180
local terms energy: -100.113604
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -24.702
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -23.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -241.671823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.671823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.671823 (E_RNA)
where:
Base-Base interactions energy: -140.853
where: short stacking energy: -75.245
Base-Backbone interact. energy: -0.002
local terms energy: -100.817098
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -13.894
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: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -179.781903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.781903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.781903 (E_RNA)
where:
Base-Base interactions energy: -99.276
where: short stacking energy: -57.485
Base-Backbone interact. energy: 1.358
local terms energy: -81.863878
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -25.215
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -15.847
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: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -156.781829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.781829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.781829 (E_RNA)
where:
Base-Base interactions energy: -71.227
where: short stacking energy: -35.341
Base-Backbone interact. energy: -0.327
local terms energy: -85.228032
where:
bonds (distance) C4'-P energy: -25.752
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -159.734892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.734892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.734892 (E_RNA)
where:
Base-Base interactions energy: -89.530
where: short stacking energy: -56.095
Base-Backbone interact. energy: -0.223
local terms energy: -69.981340
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -13.828
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: 9, replica: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -112.022265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.022265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.022265 (E_RNA)
where:
Base-Base interactions energy: -38.860
where: short stacking energy: -36.398
Base-Backbone interact. energy: -0.069
local terms energy: -73.093522
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -4.684
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: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -112.316739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.316739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.316739 (E_RNA)
where:
Base-Base interactions energy: -41.469
where: short stacking energy: -41.669
Base-Backbone interact. energy: -0.420
local terms energy: -70.427658
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -316.467203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.467203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.467203 (E_RNA)
where:
Base-Base interactions energy: -203.688
where: short stacking energy: -110.365
Base-Backbone interact. energy: -0.100
local terms energy: -112.678956
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -18.134
tors. eta vs tors. theta energy: -29.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -305.141375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.141375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.141375 (E_RNA)
where:
Base-Base interactions energy: -189.930
where: short stacking energy: -98.840
Base-Backbone interact. energy: 0.029
local terms energy: -115.239867
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -21.907
flat angles C4'-P-C4' energy: -25.895
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -28.597
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: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -278.538833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.538833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.538833 (E_RNA)
where:
Base-Base interactions energy: -175.017
where: short stacking energy: -107.825
Base-Backbone interact. energy: -0.002
local terms energy: -103.519633
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -21.096
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -28.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -259.601288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.601288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.601288 (E_RNA)
where:
Base-Base interactions energy: -165.869
where: short stacking energy: -78.884
Base-Backbone interact. energy: -0.420
local terms energy: -93.312732
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -21.680
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -22.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -250.975313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.975313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.975313 (E_RNA)
where:
Base-Base interactions energy: -152.812
where: short stacking energy: -78.809
Base-Backbone interact. energy: 1.607
local terms energy: -99.770115
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -166.995805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.995805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.995805 (E_RNA)
where:
Base-Base interactions energy: -88.768
where: short stacking energy: -55.335
Base-Backbone interact. energy: -0.250
local terms energy: -77.977577
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -12.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -158.780436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.780436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.780436 (E_RNA)
where:
Base-Base interactions energy: -91.319
where: short stacking energy: -47.483
Base-Backbone interact. energy: 0.107
local terms energy: -67.568140
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -8.284
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -165.116166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.116166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.116166 (E_RNA)
where:
Base-Base interactions energy: -82.208
where: short stacking energy: -52.448
Base-Backbone interact. energy: -1.299
local terms energy: -81.609714
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -10.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -121.821989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.821989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.821989 (E_RNA)
where:
Base-Base interactions energy: -44.793
where: short stacking energy: -44.793
Base-Backbone interact. energy: -0.190
local terms energy: -76.839281
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -10.670
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: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -111.274574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.274574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.274574 (E_RNA)
where:
Base-Base interactions energy: -31.971
where: short stacking energy: -28.182
Base-Backbone interact. energy: -0.084
local terms energy: -79.219739
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -13.597
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: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -319.630976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.630976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.630976 (E_RNA)
where:
Base-Base interactions energy: -207.743
where: short stacking energy: -107.482
Base-Backbone interact. energy: -0.512
local terms energy: -111.375284
where:
bonds (distance) C4'-P energy: -23.080
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -15.075
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: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -289.895946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.895946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.895946 (E_RNA)
where:
Base-Base interactions energy: -185.681
where: short stacking energy: -94.995
Base-Backbone interact. energy: 0.976
local terms energy: -105.190693
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -23.912
flat angles C4'-P-C4' energy: -23.272
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -27.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -301.203268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.203268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.203268 (E_RNA)
where:
Base-Base interactions energy: -184.195
where: short stacking energy: -107.664
Base-Backbone interact. energy: -0.044
local terms energy: -116.964671
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -21.896
flat angles C4'-P-C4' energy: -27.041
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -33.896
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: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -270.749345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.749345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.749345 (E_RNA)
where:
Base-Base interactions energy: -164.867
where: short stacking energy: -88.606
Base-Backbone interact. energy: -0.005
local terms energy: -105.877315
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -26.185
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -24.579
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: 200
Temperature: 1.100000
Total energy: -258.787100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.787100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.787100 (E_RNA)
where:
Base-Base interactions energy: -167.353
where: short stacking energy: -81.648
Base-Backbone interact. energy: -0.038
local terms energy: -91.396077
where:
bonds (distance) C4'-P energy: -21.488
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -179.999023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.999023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.999023 (E_RNA)
where:
Base-Base interactions energy: -91.628
where: short stacking energy: -57.290
Base-Backbone interact. energy: -0.389
local terms energy: -87.981711
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -174.437862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.437862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.437862 (E_RNA)
where:
Base-Base interactions energy: -102.504
where: short stacking energy: -54.130
Base-Backbone interact. energy: -0.378
local terms energy: -71.555575
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -6.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -166.168859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.168859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.168859 (E_RNA)
where:
Base-Base interactions energy: -92.941
where: short stacking energy: -47.911
Base-Backbone interact. energy: -0.340
local terms energy: -72.887417
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -24.701
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -124.521486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.521486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.521486 (E_RNA)
where:
Base-Base interactions energy: -45.886
where: short stacking energy: -45.339
Base-Backbone interact. energy: -0.133
local terms energy: -78.502931
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -2.594
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: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -110.224128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.224128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.224128 (E_RNA)
where:
Base-Base interactions energy: -35.128
where: short stacking energy: -35.128
Base-Backbone interact. energy: -0.959
local terms energy: -74.137410
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -324.065321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.065321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.065321 (E_RNA)
where:
Base-Base interactions energy: -214.715
where: short stacking energy: -103.356
Base-Backbone interact. energy: -0.152
local terms energy: -109.198237
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -24.028
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -30.514
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: 201
Temperature: 0.950000
Total energy: -298.651298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.651298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.651298 (E_RNA)
where:
Base-Base interactions energy: -186.274
where: short stacking energy: -100.162
Base-Backbone interact. energy: -0.980
local terms energy: -111.397146
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -26.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -289.732760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.732760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.732760 (E_RNA)
where:
Base-Base interactions energy: -178.121
where: short stacking energy: -109.004
Base-Backbone interact. energy: -1.239
local terms energy: -110.372523
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -24.590
flat angles C4'-P-C4' energy: -26.718
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -29.011
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: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -266.155445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.155445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.155445 (E_RNA)
where:
Base-Base interactions energy: -160.018
where: short stacking energy: -87.594
Base-Backbone interact. energy: -0.143
local terms energy: -105.995112
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -24.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -263.355169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.355169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.355169 (E_RNA)
where:
Base-Base interactions energy: -157.735
where: short stacking energy: -83.919
Base-Backbone interact. energy: -0.160
local terms energy: -105.460567
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -26.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -203.170049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.170049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.170049 (E_RNA)
where:
Base-Base interactions energy: -108.651
where: short stacking energy: -66.876
Base-Backbone interact. energy: -0.144
local terms energy: -94.375299
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -21.367
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -22.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -154.928789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.928789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.928789 (E_RNA)
where:
Base-Base interactions energy: -82.988
where: short stacking energy: -57.595
Base-Backbone interact. energy: -0.071
local terms energy: -71.869717
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -9.082
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -11.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -150.011182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.011182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.011182 (E_RNA)
where:
Base-Base interactions energy: -73.630
where: short stacking energy: -43.626
Base-Backbone interact. energy: -0.094
local terms energy: -76.286573
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -103.905676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.905676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.905676 (E_RNA)
where:
Base-Base interactions energy: -38.074
where: short stacking energy: -32.347
Base-Backbone interact. energy: -0.094
local terms energy: -65.737587
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -101.134261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.134261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.134261 (E_RNA)
where:
Base-Base interactions energy: -31.435
where: short stacking energy: -26.756
Base-Backbone interact. energy: 0.338
local terms energy: -70.037339
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: 1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -309.552219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.552219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.552219 (E_RNA)
where:
Base-Base interactions energy: -199.937
where: short stacking energy: -106.193
Base-Backbone interact. energy: -0.515
local terms energy: -109.100172
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -30.527
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: 202
Temperature: 0.950000
Total energy: -317.594767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.594767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.594767 (E_RNA)
where:
Base-Base interactions energy: -200.583
where: short stacking energy: -89.568
Base-Backbone interact. energy: -0.641
local terms energy: -116.370792
where:
bonds (distance) C4'-P energy: -24.870
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -28.844
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: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -281.974782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.974782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.974782 (E_RNA)
where:
Base-Base interactions energy: -177.152
where: short stacking energy: -87.611
Base-Backbone interact. energy: -0.352
local terms energy: -104.470626
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -22.139
flat angles C4'-P-C4' energy: -23.398
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -23.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -275.589747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.589747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.589747 (E_RNA)
where:
Base-Base interactions energy: -176.807
where: short stacking energy: -98.768
Base-Backbone interact. energy: -0.050
local terms energy: -98.732869
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -27.687
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: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -251.976382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.976382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.976382 (E_RNA)
where:
Base-Base interactions energy: -159.339
where: short stacking energy: -87.881
Base-Backbone interact. energy: -0.041
local terms energy: -92.596329
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -21.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -234.254861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.254861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.254861 (E_RNA)
where:
Base-Base interactions energy: -132.522
where: short stacking energy: -71.145
Base-Backbone interact. energy: 0.859
local terms energy: -102.591869
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -24.527
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -151.540572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.540572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.540572 (E_RNA)
where:
Base-Base interactions energy: -80.224
where: short stacking energy: -45.884
Base-Backbone interact. energy: -0.374
local terms energy: -70.941916
where:
bonds (distance) C4'-P energy: -19.992
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -124.186881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.186881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.186881 (E_RNA)
where:
Base-Base interactions energy: -49.628
where: short stacking energy: -29.079
Base-Backbone interact. energy: -1.568
local terms energy: -72.990374
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -117.130535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.130535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.130535 (E_RNA)
where:
Base-Base interactions energy: -45.545
where: short stacking energy: -40.988
Base-Backbone interact. energy: -0.224
local terms energy: -71.361719
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -6.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -109.041569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.041569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.041569 (E_RNA)
where:
Base-Base interactions energy: -43.596
where: short stacking energy: -43.596
Base-Backbone interact. energy: -0.293
local terms energy: -65.152890
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -2.860
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: 1, replica: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -307.517702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.517702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.517702 (E_RNA)
where:
Base-Base interactions energy: -200.474
where: short stacking energy: -102.253
Base-Backbone interact. energy: -1.096
local terms energy: -105.947912
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -26.333
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -29.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -277.908068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.908068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.908068 (E_RNA)
where:
Base-Base interactions energy: -170.435
where: short stacking energy: -89.540
Base-Backbone interact. energy: -0.597
local terms energy: -106.876140
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -26.167
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -26.007
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: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -307.342643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.342643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.342643 (E_RNA)
where:
Base-Base interactions energy: -196.960
where: short stacking energy: -97.751
Base-Backbone interact. energy: -0.041
local terms energy: -110.342052
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -16.211
tors. eta vs tors. theta energy: -27.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -275.833798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.833798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.833798 (E_RNA)
where:
Base-Base interactions energy: -174.313
where: short stacking energy: -92.088
Base-Backbone interact. energy: -0.211
local terms energy: -101.309725
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -30.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -284.295921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.295921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.295921 (E_RNA)
where:
Base-Base interactions energy: -171.291
where: short stacking energy: -98.899
Base-Backbone interact. energy: -0.012
local terms energy: -112.992535
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -34.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -214.576116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.576116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.576116 (E_RNA)
where:
Base-Base interactions energy: -123.029
where: short stacking energy: -82.084
Base-Backbone interact. energy: -0.116
local terms energy: -91.430793
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -150.631482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.631482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.631482 (E_RNA)
where:
Base-Base interactions energy: -71.197
where: short stacking energy: -59.255
Base-Backbone interact. energy: -0.264
local terms energy: -79.170555
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -111.707959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.707959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.707959 (E_RNA)
where:
Base-Base interactions energy: -32.514
where: short stacking energy: -30.329
Base-Backbone interact. energy: -0.446
local terms energy: -78.748555
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -111.337469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.337469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.337469 (E_RNA)
where:
Base-Base interactions energy: -41.619
where: short stacking energy: -41.079
Base-Backbone interact. energy: 0.750
local terms energy: -70.469087
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -109.510492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.510492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.510492 (E_RNA)
where:
Base-Base interactions energy: -35.039
where: short stacking energy: -35.039
Base-Backbone interact. energy: -0.006
local terms energy: -74.466420
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -12.727
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: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -309.012580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.012580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.012580 (E_RNA)
where:
Base-Base interactions energy: -192.577
where: short stacking energy: -97.147
Base-Backbone interact. energy: -0.375
local terms energy: -116.060898
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -24.712
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -28.539
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: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -282.070056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.070056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.070056 (E_RNA)
where:
Base-Base interactions energy: -166.240
where: short stacking energy: -89.155
Base-Backbone interact. energy: -0.079
local terms energy: -115.750679
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -18.802
tors. eta vs tors. theta energy: -28.645
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: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -298.698267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.698267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.698267 (E_RNA)
where:
Base-Base interactions energy: -188.699
where: short stacking energy: -97.067
Base-Backbone interact. energy: -0.060
local terms energy: -109.939950
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -24.301
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -26.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -277.011708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.011708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.011708 (E_RNA)
where:
Base-Base interactions energy: -164.063
where: short stacking energy: -90.936
Base-Backbone interact. energy: -0.107
local terms energy: -112.841670
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -24.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -253.833316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.833316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.833316 (E_RNA)
where:
Base-Base interactions energy: -155.298
where: short stacking energy: -83.552
Base-Backbone interact. energy: 1.430
local terms energy: -99.964832
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -23.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -193.654734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.654734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.654734 (E_RNA)
where:
Base-Base interactions energy: -103.784
where: short stacking energy: -63.562
Base-Backbone interact. energy: -1.127
local terms energy: -88.743952
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -21.043
flat angles C4'-P-C4' energy: -24.047
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -138.734070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.734070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.734070 (E_RNA)
where:
Base-Base interactions energy: -53.523
where: short stacking energy: -53.523
Base-Backbone interact. energy: -0.076
local terms energy: -85.134796
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -126.098966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.098966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.098966 (E_RNA)
where:
Base-Base interactions energy: -57.676
where: short stacking energy: -49.492
Base-Backbone interact. energy: -0.622
local terms energy: -67.800754
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -11.664
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: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -108.197450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.197450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.197450 (E_RNA)
where:
Base-Base interactions energy: -41.946
where: short stacking energy: -41.045
Base-Backbone interact. energy: 0.755
local terms energy: -67.006146
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: -4.239
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: 10, replica: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -100.168453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.168453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.168453 (E_RNA)
where:
Base-Base interactions energy: -38.267
where: short stacking energy: -31.976
Base-Backbone interact. energy: -0.504
local terms energy: -61.397640
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: 0.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -310.244151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.244151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.244151 (E_RNA)
where:
Base-Base interactions energy: -197.225
where: short stacking energy: -98.311
Base-Backbone interact. energy: -0.677
local terms energy: -112.342788
where:
bonds (distance) C4'-P energy: -23.856
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -16.665
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: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -304.051012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.051012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.051012 (E_RNA)
where:
Base-Base interactions energy: -192.852
where: short stacking energy: -100.271
Base-Backbone interact. energy: -0.273
local terms energy: -110.925724
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -18.973
tors. eta vs tors. theta energy: -25.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -262.931474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.931474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.931474 (E_RNA)
where:
Base-Base interactions energy: -157.398
where: short stacking energy: -84.700
Base-Backbone interact. energy: -0.269
local terms energy: -105.264165
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -23.443
flat angles C4'-P-C4' energy: -23.126
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -20.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -265.644723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.644723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.644723 (E_RNA)
where:
Base-Base interactions energy: -170.533
where: short stacking energy: -90.705
Base-Backbone interact. energy: -0.056
local terms energy: -95.055090
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -20.089
flat angles C4'-P-C4' energy: -25.647
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -275.363774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.363774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.363774 (E_RNA)
where:
Base-Base interactions energy: -164.651
where: short stacking energy: -96.901
Base-Backbone interact. energy: -0.019
local terms energy: -110.694533
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -18.254
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -32.417
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: 6
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -203.212838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.212838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.212838 (E_RNA)
where:
Base-Base interactions energy: -121.774
where: short stacking energy: -70.332
Base-Backbone interact. energy: -1.639
local terms energy: -79.800213
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -143.013649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.013649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.013649 (E_RNA)
where:
Base-Base interactions energy: -81.976
where: short stacking energy: -47.571
Base-Backbone interact. energy: -0.131
local terms energy: -60.906662
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -7.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -135.454346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.454346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.454346 (E_RNA)
where:
Base-Base interactions energy: -59.356
where: short stacking energy: -42.316
Base-Backbone interact. energy: -0.225
local terms energy: -75.873022
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -109.127146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.127146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.127146 (E_RNA)
where:
Base-Base interactions energy: -41.712
where: short stacking energy: -29.170
Base-Backbone interact. energy: -0.582
local terms energy: -66.833493
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: 0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -101.084736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.084736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.084736 (E_RNA)
where:
Base-Base interactions energy: -36.883
where: short stacking energy: -31.807
Base-Backbone interact. energy: 0.998
local terms energy: -65.200089
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -313.739364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.739364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.739364 (E_RNA)
where:
Base-Base interactions energy: -195.873
where: short stacking energy: -104.547
Base-Backbone interact. energy: 1.123
local terms energy: -118.988930
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -19.680
tors. eta vs tors. theta energy: -31.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -303.246873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.246873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.246873 (E_RNA)
where:
Base-Base interactions energy: -190.070
where: short stacking energy: -96.760
Base-Backbone interact. energy: -0.076
local terms energy: -113.100234
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -21.591
flat angles C4'-P-C4' energy: -25.655
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -30.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -257.207072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.207072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.207072 (E_RNA)
where:
Base-Base interactions energy: -155.622
where: short stacking energy: -88.481
Base-Backbone interact. energy: -1.045
local terms energy: -100.539588
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -17.258
tors. eta vs tors. theta energy: -21.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -262.523989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.523989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.523989 (E_RNA)
where:
Base-Base interactions energy: -155.415
where: short stacking energy: -82.814
Base-Backbone interact. energy: -0.235
local terms energy: -106.873976
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -21.382
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: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -255.150444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.150444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.150444 (E_RNA)
where:
Base-Base interactions energy: -155.532
where: short stacking energy: -78.837
Base-Backbone interact. energy: 0.883
local terms energy: -100.500592
where:
bonds (distance) C4'-P energy: -22.746
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -225.853076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.853076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.853076 (E_RNA)
where:
Base-Base interactions energy: -134.778
where: short stacking energy: -81.209
Base-Backbone interact. energy: -0.178
local terms energy: -90.897903
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -19.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -165.152356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.152356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.152356 (E_RNA)
where:
Base-Base interactions energy: -88.252
where: short stacking energy: -57.888
Base-Backbone interact. energy: -0.322
local terms energy: -76.578460
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -158.519856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.519856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.519856 (E_RNA)
where:
Base-Base interactions energy: -74.993
where: short stacking energy: -51.711
Base-Backbone interact. energy: -0.245
local terms energy: -83.282663
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -10.285
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: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -103.312476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.312476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.312476 (E_RNA)
where:
Base-Base interactions energy: -29.203
where: short stacking energy: -29.203
Base-Backbone interact. energy: 0.061
local terms energy: -74.170296
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -1.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -109.496859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.496859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.496859 (E_RNA)
where:
Base-Base interactions energy: -37.306
where: short stacking energy: -37.306
Base-Backbone interact. energy: -0.377
local terms energy: -71.813170
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -319.926615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.926615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.926615 (E_RNA)
where:
Base-Base interactions energy: -207.666
where: short stacking energy: -102.526
Base-Backbone interact. energy: -0.245
local terms energy: -112.015212
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -34.577
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: 207
Temperature: 0.950000
Total energy: -308.235102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.235102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.235102 (E_RNA)
where:
Base-Base interactions energy: -194.566
where: short stacking energy: -99.041
Base-Backbone interact. energy: 0.372
local terms energy: -114.040421
where:
bonds (distance) C4'-P energy: -26.885
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -24.449
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -28.779
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: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -268.586398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.586398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.586398 (E_RNA)
where:
Base-Base interactions energy: -175.499
where: short stacking energy: -96.849
Base-Backbone interact. energy: -0.113
local terms energy: -92.974760
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -23.288
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -256.358884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.358884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.358884 (E_RNA)
where:
Base-Base interactions energy: -158.677
where: short stacking energy: -82.155
Base-Backbone interact. energy: -0.016
local terms energy: -97.666390
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -24.117
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: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -251.164242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.164242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.164242 (E_RNA)
where:
Base-Base interactions energy: -147.410
where: short stacking energy: -95.335
Base-Backbone interact. energy: -0.056
local terms energy: -103.698349
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -25.113
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -23.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -224.344168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.344168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.344168 (E_RNA)
where:
Base-Base interactions energy: -138.217
where: short stacking energy: -74.238
Base-Backbone interact. energy: -0.656
local terms energy: -85.471845
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -21.490
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: 3
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -149.623959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.623959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.623959 (E_RNA)
where:
Base-Base interactions energy: -77.510
where: short stacking energy: -47.379
Base-Backbone interact. energy: -0.297
local terms energy: -71.816553
where:
bonds (distance) C4'-P energy: -21.899
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -4.277
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: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -116.849796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.849796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.849796 (E_RNA)
where:
Base-Base interactions energy: -40.495
where: short stacking energy: -40.392
Base-Backbone interact. energy: -0.513
local terms energy: -75.841984
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -8.908
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: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -114.565799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.565799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.565799 (E_RNA)
where:
Base-Base interactions energy: -39.033
where: short stacking energy: -34.741
Base-Backbone interact. energy: -0.323
local terms energy: -75.209808
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -108.781043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.781043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.781043 (E_RNA)
where:
Base-Base interactions energy: -34.912
where: short stacking energy: -33.733
Base-Backbone interact. energy: -0.209
local terms energy: -73.659809
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -21.689
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -4.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -321.154633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.154633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.154633 (E_RNA)
where:
Base-Base interactions energy: -208.014
where: short stacking energy: -98.199
Base-Backbone interact. energy: -0.239
local terms energy: -112.901877
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -25.513
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -30.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -283.382083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.382083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.382083 (E_RNA)
where:
Base-Base interactions energy: -185.950
where: short stacking energy: -81.375
Base-Backbone interact. energy: -1.090
local terms energy: -96.342175
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -268.190040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.190040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.190040 (E_RNA)
where:
Base-Base interactions energy: -164.455
where: short stacking energy: -90.985
Base-Backbone interact. energy: -0.467
local terms energy: -103.268626
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -26.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -249.764122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.764122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.764122 (E_RNA)
where:
Base-Base interactions energy: -159.598
where: short stacking energy: -82.945
Base-Backbone interact. energy: -0.389
local terms energy: -89.777006
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -20.475
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -18.566
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: 208
Temperature: 1.100000
Total energy: -220.297870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.297870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.297870 (E_RNA)
where:
Base-Base interactions energy: -123.849
where: short stacking energy: -72.543
Base-Backbone interact. energy: -0.107
local terms energy: -96.342297
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -22.130
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: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -202.371458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.371458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.371458 (E_RNA)
where:
Base-Base interactions energy: -110.136
where: short stacking energy: -69.984
Base-Backbone interact. energy: -0.145
local terms energy: -92.090388
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -21.815
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -10.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -123.877433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.877433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.877433 (E_RNA)
where:
Base-Base interactions energy: -46.507
where: short stacking energy: -46.425
Base-Backbone interact. energy: -0.347
local terms energy: -77.023737
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -7.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -124.883554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.883554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.883554 (E_RNA)
where:
Base-Base interactions energy: -54.551
where: short stacking energy: -47.067
Base-Backbone interact. energy: 1.547
local terms energy: -71.878962
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -7.573
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: 5
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -121.227802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.227802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.227802 (E_RNA)
where:
Base-Base interactions energy: -47.464
where: short stacking energy: -47.464
Base-Backbone interact. energy: -0.102
local terms energy: -73.661450
where:
bonds (distance) C4'-P energy: -20.749
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -115.065515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.065515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.065515 (E_RNA)
where:
Base-Base interactions energy: -50.444
where: short stacking energy: -27.168
Base-Backbone interact. energy: -0.228
local terms energy: -64.393810
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -19.208
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: 3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -331.058183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.058183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.058183 (E_RNA)
where:
Base-Base interactions energy: -214.362
where: short stacking energy: -115.062
Base-Backbone interact. energy: 0.608
local terms energy: -117.304166
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: -34.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -296.522925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.522925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.522925 (E_RNA)
where:
Base-Base interactions energy: -190.673
where: short stacking energy: -94.435
Base-Backbone interact. energy: -0.071
local terms energy: -105.778815
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -22.980
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -25.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -279.476909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.476909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.476909 (E_RNA)
where:
Base-Base interactions energy: -172.469
where: short stacking energy: -98.472
Base-Backbone interact. energy: -0.315
local terms energy: -106.693761
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -25.943
flat angles P-C4'-P energy: -18.922
tors. eta vs tors. theta energy: -26.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -247.433972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.433972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.433972 (E_RNA)
where:
Base-Base interactions energy: -148.447
where: short stacking energy: -75.192
Base-Backbone interact. energy: -0.770
local terms energy: -98.216669
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -22.315
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: 209
Temperature: 1.100000
Total energy: -235.057315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.057315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.057315 (E_RNA)
where:
Base-Base interactions energy: -151.024
where: short stacking energy: -77.858
Base-Backbone interact. energy: 0.566
local terms energy: -84.598874
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -24.763
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -194.199793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.199793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.199793 (E_RNA)
where:
Base-Base interactions energy: -110.086
where: short stacking energy: -66.204
Base-Backbone interact. energy: -0.198
local terms energy: -83.915251
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -11.516
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: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -160.224431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.224431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.224431 (E_RNA)
where:
Base-Base interactions energy: -84.908
where: short stacking energy: -54.191
Base-Backbone interact. energy: 1.933
local terms energy: -77.249386
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -150.960842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.960842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.960842 (E_RNA)
where:
Base-Base interactions energy: -78.994
where: short stacking energy: -43.098
Base-Backbone interact. energy: 0.009
local terms energy: -71.976442
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: 0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -114.931243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.931243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.931243 (E_RNA)
where:
Base-Base interactions energy: -41.439
where: short stacking energy: -41.173
Base-Backbone interact. energy: -0.021
local terms energy: -73.470540
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -14.566
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: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -108.260615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.260615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.260615 (E_RNA)
where:
Base-Base interactions energy: -37.534
where: short stacking energy: -34.403
Base-Backbone interact. energy: -0.268
local terms energy: -70.458193
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -324.289221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.289221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.289221 (E_RNA)
where:
Base-Base interactions energy: -204.425
where: short stacking energy: -115.389
Base-Backbone interact. energy: -0.123
local terms energy: -119.741573
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -19.144
tors. eta vs tors. theta energy: -33.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -298.491508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.491508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.491508 (E_RNA)
where:
Base-Base interactions energy: -187.169
where: short stacking energy: -94.660
Base-Backbone interact. energy: 0.548
local terms energy: -111.870325
where:
bonds (distance) C4'-P energy: -27.129
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -24.165
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -282.398340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.398340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.398340 (E_RNA)
where:
Base-Base interactions energy: -174.360
where: short stacking energy: -96.585
Base-Backbone interact. energy: -0.049
local terms energy: -107.989225
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -25.992
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -24.457
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: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -267.643187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.643187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.643187 (E_RNA)
where:
Base-Base interactions energy: -166.642
where: short stacking energy: -87.974
Base-Backbone interact. energy: -0.218
local terms energy: -100.782865
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -19.279
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -21.949
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: 210
Temperature: 1.100000
Total energy: -249.973383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.973383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.973383 (E_RNA)
where:
Base-Base interactions energy: -155.858
where: short stacking energy: -78.356
Base-Backbone interact. energy: -1.360
local terms energy: -92.755644
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -18.195
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -214.967459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.967459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.967459 (E_RNA)
where:
Base-Base interactions energy: -124.996
where: short stacking energy: -73.945
Base-Backbone interact. energy: -0.227
local terms energy: -89.744818
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -9.999
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: 7, replica: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -170.660645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.660645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.660645 (E_RNA)
where:
Base-Base interactions energy: -95.671
where: short stacking energy: -52.028
Base-Backbone interact. energy: -0.621
local terms energy: -74.369182
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -24.312
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: -10.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -133.045115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.045115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.045115 (E_RNA)
where:
Base-Base interactions energy: -72.744
where: short stacking energy: -37.569
Base-Backbone interact. energy: -0.357
local terms energy: -59.944240
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -4.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -122.154804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.154804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.154804 (E_RNA)
where:
Base-Base interactions energy: -45.373
where: short stacking energy: -38.979
Base-Backbone interact. energy: -0.332
local terms energy: -76.449408
where:
bonds (distance) C4'-P energy: -23.027
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -108.947251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.947251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.947251 (E_RNA)
where:
Base-Base interactions energy: -40.961
where: short stacking energy: -33.188
Base-Backbone interact. energy: -0.579
local terms energy: -67.407157
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -21.889
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -321.041074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.041074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.041074 (E_RNA)
where:
Base-Base interactions energy: -201.272
where: short stacking energy: -113.280
Base-Backbone interact. energy: -0.105
local terms energy: -119.663889
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -17.595
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: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -306.930984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.930984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.930984 (E_RNA)
where:
Base-Base interactions energy: -195.251
where: short stacking energy: -99.070
Base-Backbone interact. energy: -0.767
local terms energy: -110.912685
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -26.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -275.020537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.020537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.020537 (E_RNA)
where:
Base-Base interactions energy: -170.995
where: short stacking energy: -89.041
Base-Backbone interact. energy: -0.078
local terms energy: -103.946976
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -18.127
tors. eta vs tors. theta energy: -25.783
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: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -255.416795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.416795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.416795 (E_RNA)
where:
Base-Base interactions energy: -154.466
where: short stacking energy: -81.705
Base-Backbone interact. energy: -0.057
local terms energy: -100.893521
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -24.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -302.786855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.786855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.786855 (E_RNA)
where:
Base-Base interactions energy: -190.104
where: short stacking energy: -92.260
Base-Backbone interact. energy: -0.461
local terms energy: -112.221482
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -28.691
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -27.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -234.775179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.775179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.775179 (E_RNA)
where:
Base-Base interactions energy: -138.875
where: short stacking energy: -80.126
Base-Backbone interact. energy: -0.073
local terms energy: -95.827748
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -20.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -203.814328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.814328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.814328 (E_RNA)
where:
Base-Base interactions energy: -126.789
where: short stacking energy: -77.418
Base-Backbone interact. energy: -0.613
local terms energy: -76.412023
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -10.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -142.774794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.774794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.774794 (E_RNA)
where:
Base-Base interactions energy: -67.108
where: short stacking energy: -43.012
Base-Backbone interact. energy: -1.731
local terms energy: -73.935565
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -6.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -146.351675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.351675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.351675 (E_RNA)
where:
Base-Base interactions energy: -79.181
where: short stacking energy: -51.552
Base-Backbone interact. energy: -0.126
local terms energy: -67.044444
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -100.062755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.062755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.062755 (E_RNA)
where:
Base-Base interactions energy: -32.114
where: short stacking energy: -30.157
Base-Backbone interact. energy: -0.341
local terms energy: -67.607236
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -10.194
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: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -313.815623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.815623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.815623 (E_RNA)
where:
Base-Base interactions energy: -199.337
where: short stacking energy: -102.801
Base-Backbone interact. energy: -0.625
local terms energy: -113.853172
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -25.963
flat angles P-C4'-P energy: -16.382
tors. eta vs tors. theta energy: -26.711
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: 212
Temperature: 0.950000
Total energy: -316.651983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.651983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.651983 (E_RNA)
where:
Base-Base interactions energy: -202.082
where: short stacking energy: -108.836
Base-Backbone interact. energy: -0.147
local terms energy: -114.423061
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -31.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -274.304259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.304259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.304259 (E_RNA)
where:
Base-Base interactions energy: -168.099
where: short stacking energy: -93.110
Base-Backbone interact. energy: -0.873
local terms energy: -105.333002
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -25.712
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -27.481
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: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -271.430908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.430908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.430908 (E_RNA)
where:
Base-Base interactions energy: -170.198
where: short stacking energy: -89.901
Base-Backbone interact. energy: -0.041
local terms energy: -101.191976
where:
bonds (distance) C4'-P energy: -21.851
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -293.227475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.227475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.227475 (E_RNA)
where:
Base-Base interactions energy: -191.027
where: short stacking energy: -90.415
Base-Backbone interact. energy: -1.122
local terms energy: -101.078134
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -29.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -240.942200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.942200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.942200 (E_RNA)
where:
Base-Base interactions energy: -142.023
where: short stacking energy: -82.098
Base-Backbone interact. energy: -1.288
local terms energy: -97.630635
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -24.778
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: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -145.499675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.499675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.499675 (E_RNA)
where:
Base-Base interactions energy: -68.017
where: short stacking energy: -47.252
Base-Backbone interact. energy: -0.342
local terms energy: -77.140263
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -7.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -158.769708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.769708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.769708 (E_RNA)
where:
Base-Base interactions energy: -89.831
where: short stacking energy: -45.537
Base-Backbone interact. energy: -0.320
local terms energy: -68.618380
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -9.435
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: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -139.444939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.444939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.444939 (E_RNA)
where:
Base-Base interactions energy: -69.208
where: short stacking energy: -38.114
Base-Backbone interact. energy: -0.164
local terms energy: -70.072828
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -4.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -110.736047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.736047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.736047 (E_RNA)
where:
Base-Base interactions energy: -37.708
where: short stacking energy: -34.347
Base-Backbone interact. energy: -0.265
local terms energy: -72.763453
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -12.184
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: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -313.460850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.460850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.460850 (E_RNA)
where:
Base-Base interactions energy: -196.995
where: short stacking energy: -94.163
Base-Backbone interact. energy: -0.490
local terms energy: -115.975741
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -25.561
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -15.583
tors. eta vs tors. theta energy: -25.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -318.857444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.857444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.857444 (E_RNA)
where:
Base-Base interactions energy: -205.546
where: short stacking energy: -104.933
Base-Backbone interact. energy: -0.014
local terms energy: -113.297476
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -22.944
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -27.202
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: 213
Temperature: 1.000000
Total energy: -276.644767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.644767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.644767 (E_RNA)
where:
Base-Base interactions energy: -177.089
where: short stacking energy: -97.884
Base-Backbone interact. energy: -0.272
local terms energy: -99.284111
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -284.871263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.871263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.871263 (E_RNA)
where:
Base-Base interactions energy: -173.829
where: short stacking energy: -85.342
Base-Backbone interact. energy: -0.394
local terms energy: -110.648129
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -21.608
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -27.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -264.740440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.740440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.740440 (E_RNA)
where:
Base-Base interactions energy: -165.830
where: short stacking energy: -84.674
Base-Backbone interact. energy: 2.253
local terms energy: -101.163962
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -20.384
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -23.454
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: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -222.754633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.754633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.754633 (E_RNA)
where:
Base-Base interactions energy: -130.513
where: short stacking energy: -70.904
Base-Backbone interact. energy: -0.592
local terms energy: -91.649607
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -150.316009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.316009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.316009 (E_RNA)
where:
Base-Base interactions energy: -75.685
where: short stacking energy: -41.354
Base-Backbone interact. energy: -0.368
local terms energy: -74.263860
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -6.459
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: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -132.682909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.682909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.682909 (E_RNA)
where:
Base-Base interactions energy: -63.029
where: short stacking energy: -34.228
Base-Backbone interact. energy: -0.011
local terms energy: -69.642654
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: 5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -109.766185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.766185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.766185 (E_RNA)
where:
Base-Base interactions energy: -42.076
where: short stacking energy: -34.985
Base-Backbone interact. energy: -0.005
local terms energy: -67.686049
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -6.661
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: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -117.836913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.836913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.836913 (E_RNA)
where:
Base-Base interactions energy: -44.222
where: short stacking energy: -43.021
Base-Backbone interact. energy: -0.233
local terms energy: -73.382116
where:
bonds (distance) C4'-P energy: -7.585
bonds (distance) P-C4' energy: -27.023
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -13.405
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: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -323.571405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.571405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.571405 (E_RNA)
where:
Base-Base interactions energy: -207.903
where: short stacking energy: -103.115
Base-Backbone interact. energy: -0.419
local terms energy: -115.249334
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -25.583
flat angles C4'-P-C4' energy: -23.806
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -28.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -310.747149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.747149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.747149 (E_RNA)
where:
Base-Base interactions energy: -205.800
where: short stacking energy: -105.937
Base-Backbone interact. energy: 0.156
local terms energy: -105.103288
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -25.852
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -26.588
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: 214
Temperature: 1.000000
Total energy: -254.083136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.083136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.083136 (E_RNA)
where:
Base-Base interactions energy: -158.733
where: short stacking energy: -80.658
Base-Backbone interact. energy: -0.241
local terms energy: -95.108443
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -23.632
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -243.676828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.676828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.676828 (E_RNA)
where:
Base-Base interactions energy: -147.696
where: short stacking energy: -72.480
Base-Backbone interact. energy: -0.092
local terms energy: -95.889418
where:
bonds (distance) C4'-P energy: -20.828
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -238.586565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.586565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.586565 (E_RNA)
where:
Base-Base interactions energy: -146.100
where: short stacking energy: -83.006
Base-Backbone interact. energy: 1.222
local terms energy: -93.708834
where:
bonds (distance) C4'-P energy: -23.536
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -21.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -214.438595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.438595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.438595 (E_RNA)
where:
Base-Base interactions energy: -124.897
where: short stacking energy: -63.171
Base-Backbone interact. energy: -0.223
local terms energy: -89.318218
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -14.194
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: 1
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -138.970234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.970234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.970234 (E_RNA)
where:
Base-Base interactions energy: -63.848
where: short stacking energy: -50.461
Base-Backbone interact. energy: -0.371
local terms energy: -74.750784
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -1.133
tors. eta vs tors. theta energy: -12.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -118.002975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.002975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.002975 (E_RNA)
where:
Base-Base interactions energy: -41.161
where: short stacking energy: -41.161
Base-Backbone interact. energy: -0.066
local terms energy: -76.775279
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -11.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -111.354654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.354654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.354654 (E_RNA)
where:
Base-Base interactions energy: -48.814
where: short stacking energy: -27.534
Base-Backbone interact. energy: -0.040
local terms energy: -62.500605
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -10.680
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: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -106.701409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.701409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.701409 (E_RNA)
where:
Base-Base interactions energy: -37.849
where: short stacking energy: -37.849
Base-Backbone interact. energy: -0.599
local terms energy: -68.253263
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: 0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -323.725175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.725175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.725175 (E_RNA)
where:
Base-Base interactions energy: -203.948
where: short stacking energy: -104.619
Base-Backbone interact. energy: 0.492
local terms energy: -120.268260
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -17.957
tors. eta vs tors. theta energy: -28.141
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: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -291.823166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.823166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.823166 (E_RNA)
where:
Base-Base interactions energy: -181.967
where: short stacking energy: -100.073
Base-Backbone interact. energy: 1.239
local terms energy: -111.095482
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -30.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -300.440084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.440084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.440084 (E_RNA)
where:
Base-Base interactions energy: -192.097
where: short stacking energy: -96.311
Base-Backbone interact. energy: 0.498
local terms energy: -108.840960
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -28.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -266.178882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.178882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.178882 (E_RNA)
where:
Base-Base interactions energy: -161.632
where: short stacking energy: -87.531
Base-Backbone interact. energy: 0.320
local terms energy: -104.866853
where:
bonds (distance) C4'-P energy: -20.970
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -24.933
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: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -245.757001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.757001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.757001 (E_RNA)
where:
Base-Base interactions energy: -145.540
where: short stacking energy: -74.807
Base-Backbone interact. energy: -0.053
local terms energy: -100.163287
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -18.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -232.662216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.662216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.662216 (E_RNA)
where:
Base-Base interactions energy: -134.539
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.133
local terms energy: -97.990020
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -13.813
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: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -119.672938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.672938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.672938 (E_RNA)
where:
Base-Base interactions energy: -54.439
where: short stacking energy: -37.105
Base-Backbone interact. energy: -0.214
local terms energy: -65.019997
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -123.678444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.678444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.678444 (E_RNA)
where:
Base-Base interactions energy: -42.077
where: short stacking energy: -42.077
Base-Backbone interact. energy: -0.087
local terms energy: -81.514908
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -12.874
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: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -125.877710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.877710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.877710 (E_RNA)
where:
Base-Base interactions energy: -60.949
where: short stacking energy: -41.086
Base-Backbone interact. energy: -0.080
local terms energy: -64.848346
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -7.159
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -101.489600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.489600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.489600 (E_RNA)
where:
Base-Base interactions energy: -44.377
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.174
local terms energy: -56.938833
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: 1.104
tors. eta vs tors. theta energy: -0.843
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: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -284.580171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.580171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.580171 (E_RNA)
where:
Base-Base interactions energy: -176.040
where: short stacking energy: -99.216
Base-Backbone interact. energy: 0.653
local terms energy: -109.192583
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -28.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -312.772267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.772267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.772267 (E_RNA)
where:
Base-Base interactions energy: -196.301
where: short stacking energy: -94.713
Base-Backbone interact. energy: 0.592
local terms energy: -117.063163
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -32.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -285.862785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.862785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.862785 (E_RNA)
where:
Base-Base interactions energy: -191.944
where: short stacking energy: -98.028
Base-Backbone interact. energy: -0.405
local terms energy: -93.514293
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -23.395
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -236.211836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.211836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.211836 (E_RNA)
where:
Base-Base interactions energy: -140.053
where: short stacking energy: -77.788
Base-Backbone interact. energy: -0.580
local terms energy: -95.578188
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -243.039703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.039703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.039703 (E_RNA)
where:
Base-Base interactions energy: -156.550
where: short stacking energy: -82.547
Base-Backbone interact. energy: 0.291
local terms energy: -86.780092
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -10.137
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: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -215.619306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.619306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.619306 (E_RNA)
where:
Base-Base interactions energy: -126.032
where: short stacking energy: -67.073
Base-Backbone interact. energy: -0.937
local terms energy: -88.650226
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -24.594
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -11.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -124.411184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.411184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.411184 (E_RNA)
where:
Base-Base interactions energy: -41.413
where: short stacking energy: -35.833
Base-Backbone interact. energy: -0.015
local terms energy: -82.983603
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -12.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -112.446849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.446849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.446849 (E_RNA)
where:
Base-Base interactions energy: -44.525
where: short stacking energy: -43.994
Base-Backbone interact. energy: 0.232
local terms energy: -68.153838
where:
bonds (distance) C4'-P energy: -21.229
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -9.640
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: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -105.726262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.726262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.726262 (E_RNA)
where:
Base-Base interactions energy: -42.198
where: short stacking energy: -36.931
Base-Backbone interact. energy: -0.245
local terms energy: -63.283534
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: 2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -108.491157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.491157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.491157 (E_RNA)
where:
Base-Base interactions energy: -39.806
where: short stacking energy: -39.806
Base-Backbone interact. energy: -0.391
local terms energy: -68.293833
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -5.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -305.301580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.301580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.301580 (E_RNA)
where:
Base-Base interactions energy: -185.979
where: short stacking energy: -102.947
Base-Backbone interact. energy: -0.756
local terms energy: -118.565943
where:
bonds (distance) C4'-P energy: -25.014
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -18.450
tors. eta vs tors. theta energy: -30.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -293.418120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.418120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.418120 (E_RNA)
where:
Base-Base interactions energy: -180.634
where: short stacking energy: -97.606
Base-Backbone interact. energy: -0.034
local terms energy: -112.750238
where:
bonds (distance) C4'-P energy: -23.552
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -24.113
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -26.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -282.864323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.864323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.864323 (E_RNA)
where:
Base-Base interactions energy: -177.207
where: short stacking energy: -83.295
Base-Backbone interact. energy: -0.496
local terms energy: -105.160587
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -22.385
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -23.856
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: 4, replica: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -285.292910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.292910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.292910 (E_RNA)
where:
Base-Base interactions energy: -177.925
where: short stacking energy: -97.658
Base-Backbone interact. energy: -0.027
local terms energy: -107.341272
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -29.601
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: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -256.003834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.003834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.003834 (E_RNA)
where:
Base-Base interactions energy: -154.796
where: short stacking energy: -84.266
Base-Backbone interact. energy: 0.595
local terms energy: -101.802540
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -25.511
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -213.187569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.187569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.187569 (E_RNA)
where:
Base-Base interactions energy: -130.670
where: short stacking energy: -65.069
Base-Backbone interact. energy: -0.704
local terms energy: -81.813469
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -14.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -128.935915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.935915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.935915 (E_RNA)
where:
Base-Base interactions energy: -47.082
where: short stacking energy: -45.584
Base-Backbone interact. energy: -0.480
local terms energy: -81.373805
where:
bonds (distance) C4'-P energy: -21.930
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -11.951
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: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -117.807740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.807740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.807740 (E_RNA)
where:
Base-Base interactions energy: -38.374
where: short stacking energy: -38.374
Base-Backbone interact. energy: 2.658
local terms energy: -82.092101
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -25.675
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -4.717
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: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -120.857916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.857916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.857916 (E_RNA)
where:
Base-Base interactions energy: -39.889
where: short stacking energy: -39.889
Base-Backbone interact. energy: -0.413
local terms energy: -80.555540
where:
bonds (distance) C4'-P energy: -25.485
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -109.426856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.426856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.426856 (E_RNA)
where:
Base-Base interactions energy: -33.361
where: short stacking energy: -32.380
Base-Backbone interact. energy: -0.013
local terms energy: -76.053603
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -298.479233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.479233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.479233 (E_RNA)
where:
Base-Base interactions energy: -185.056
where: short stacking energy: -103.553
Base-Backbone interact. energy: -0.317
local terms energy: -113.106443
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -25.535
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -30.473
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: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -296.988587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.988587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.988587 (E_RNA)
where:
Base-Base interactions energy: -182.594
where: short stacking energy: -100.175
Base-Backbone interact. energy: -0.101
local terms energy: -114.294091
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -32.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -285.501249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.501249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.501249 (E_RNA)
where:
Base-Base interactions energy: -172.792
where: short stacking energy: -90.841
Base-Backbone interact. energy: -0.186
local terms energy: -112.522523
where:
bonds (distance) C4'-P energy: -25.987
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -27.023
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -25.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -272.912552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.912552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.912552 (E_RNA)
where:
Base-Base interactions energy: -165.920
where: short stacking energy: -82.533
Base-Backbone interact. energy: -0.266
local terms energy: -106.726718
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -31.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -245.974631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.974631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.974631 (E_RNA)
where:
Base-Base interactions energy: -148.022
where: short stacking energy: -74.699
Base-Backbone interact. energy: -0.648
local terms energy: -97.304200
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -22.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -188.222504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.222504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.222504 (E_RNA)
where:
Base-Base interactions energy: -104.486
where: short stacking energy: -63.119
Base-Backbone interact. energy: -0.368
local terms energy: -83.368184
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -25.636
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -127.059349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.059349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.059349 (E_RNA)
where:
Base-Base interactions energy: -45.466
where: short stacking energy: -45.466
Base-Backbone interact. energy: -0.062
local terms energy: -81.530903
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -7.115
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: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -121.275720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.275720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.275720 (E_RNA)
where:
Base-Base interactions energy: -40.187
where: short stacking energy: -33.077
Base-Backbone interact. energy: -0.191
local terms energy: -80.897829
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -19.619
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: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -109.613718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.613718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.613718 (E_RNA)
where:
Base-Base interactions energy: -46.116
where: short stacking energy: -45.398
Base-Backbone interact. energy: -0.293
local terms energy: -63.204110
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -119.635132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.635132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.635132 (E_RNA)
where:
Base-Base interactions energy: -42.175
where: short stacking energy: -41.387
Base-Backbone interact. energy: -0.154
local terms energy: -77.306275
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -6.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -310.107084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.107084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.107084 (E_RNA)
where:
Base-Base interactions energy: -192.438
where: short stacking energy: -106.794
Base-Backbone interact. energy: -1.278
local terms energy: -116.390402
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -26.086
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -32.885
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: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -297.677976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.677976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.677976 (E_RNA)
where:
Base-Base interactions energy: -188.079
where: short stacking energy: -89.984
Base-Backbone interact. energy: -0.772
local terms energy: -108.826969
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -22.702
flat angles C4'-P-C4' energy: -22.875
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -30.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -273.272390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.272390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.272390 (E_RNA)
where:
Base-Base interactions energy: -172.329
where: short stacking energy: -86.134
Base-Backbone interact. energy: -0.233
local terms energy: -100.710127
where:
bonds (distance) C4'-P energy: -23.911
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -18.133
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: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -265.286684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.286684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.286684 (E_RNA)
where:
Base-Base interactions energy: -156.988
where: short stacking energy: -80.262
Base-Backbone interact. energy: -0.058
local terms energy: -108.240566
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -15.313
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: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -250.685220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.685220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.685220 (E_RNA)
where:
Base-Base interactions energy: -147.534
where: short stacking energy: -84.988
Base-Backbone interact. energy: -0.047
local terms energy: -103.103772
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -25.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -166.832215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.832215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.832215 (E_RNA)
where:
Base-Base interactions energy: -82.812
where: short stacking energy: -55.836
Base-Backbone interact. energy: -0.575
local terms energy: -83.444523
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -10.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -131.893909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.893909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.893909 (E_RNA)
where:
Base-Base interactions energy: -58.956
where: short stacking energy: -55.862
Base-Backbone interact. energy: -0.011
local terms energy: -72.926851
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -11.164
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: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -136.211482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.211482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.211482 (E_RNA)
where:
Base-Base interactions energy: -58.940
where: short stacking energy: -58.940
Base-Backbone interact. energy: -0.161
local terms energy: -77.109981
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -13.262
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: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -109.026789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.026789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.026789 (E_RNA)
where:
Base-Base interactions energy: -33.013
where: short stacking energy: -27.460
Base-Backbone interact. energy: 0.357
local terms energy: -76.370379
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -25.269
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -8.303
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: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -110.514132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.514132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.514132 (E_RNA)
where:
Base-Base interactions energy: -47.682
where: short stacking energy: -43.676
Base-Backbone interact. energy: 0.169
local terms energy: -63.000339
where:
bonds (distance) C4'-P energy: -24.518
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -5.909
flat angles P-C4'-P energy: -2.403
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -319.582355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.582355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.582355 (E_RNA)
where:
Base-Base interactions energy: -213.567
where: short stacking energy: -102.605
Base-Backbone interact. energy: -1.407
local terms energy: -104.609236
where:
bonds (distance) C4'-P energy: -22.165
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -15.528
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: 220
Temperature: 0.950000
Total energy: -296.550284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.550284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.550284 (E_RNA)
where:
Base-Base interactions energy: -183.792
where: short stacking energy: -96.997
Base-Backbone interact. energy: -0.119
local terms energy: -112.639549
where:
bonds (distance) C4'-P energy: -27.059
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -24.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -266.580825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.580825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.580825 (E_RNA)
where:
Base-Base interactions energy: -167.796
where: short stacking energy: -90.151
Base-Backbone interact. energy: -0.466
local terms energy: -98.318097
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -24.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -259.973119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.973119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.973119 (E_RNA)
where:
Base-Base interactions energy: -154.946
where: short stacking energy: -73.415
Base-Backbone interact. energy: -0.257
local terms energy: -104.769494
where:
bonds (distance) C4'-P energy: -24.961
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -248.245793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.245793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.245793 (E_RNA)
where:
Base-Base interactions energy: -155.054
where: short stacking energy: -76.185
Base-Backbone interact. energy: -0.045
local terms energy: -93.147570
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -190.900183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.900183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.900183 (E_RNA)
where:
Base-Base interactions energy: -112.638
where: short stacking energy: -62.904
Base-Backbone interact. energy: -0.022
local terms energy: -78.240581
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -8.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -129.973766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.973766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.973766 (E_RNA)
where:
Base-Base interactions energy: -52.416
where: short stacking energy: -44.685
Base-Backbone interact. energy: -1.500
local terms energy: -76.057917
where:
bonds (distance) C4'-P energy: -21.351
bonds (distance) P-C4' energy: -26.710
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -3.294
tors. eta vs tors. theta energy: -1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -124.703899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.703899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.703899 (E_RNA)
where:
Base-Base interactions energy: -45.488
where: short stacking energy: -46.488
Base-Backbone interact. energy: -0.322
local terms energy: -78.893145
where:
bonds (distance) C4'-P energy: -20.523
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -115.302750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.302750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.302750 (E_RNA)
where:
Base-Base interactions energy: -38.280
where: short stacking energy: -34.681
Base-Backbone interact. energy: -0.090
local terms energy: -76.932901
where:
bonds (distance) C4'-P energy: -24.020
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -6.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -105.788012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.788012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.788012 (E_RNA)
where:
Base-Base interactions energy: -32.504
where: short stacking energy: -27.120
Base-Backbone interact. energy: -0.011
local terms energy: -73.272722
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -13.055
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: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -319.228418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.228418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.228418 (E_RNA)
where:
Base-Base interactions energy: -207.413
where: short stacking energy: -96.536
Base-Backbone interact. energy: -1.000
local terms energy: -110.815627
where:
bonds (distance) C4'-P energy: -23.833
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -25.781
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -26.745
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: 2, replica: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -268.802475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.802475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.802475 (E_RNA)
where:
Base-Base interactions energy: -169.347
where: short stacking energy: -86.640
Base-Backbone interact. energy: -0.065
local terms energy: -99.390881
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -24.838
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: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -280.867725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.867725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.867725 (E_RNA)
where:
Base-Base interactions energy: -178.556
where: short stacking energy: -92.348
Base-Backbone interact. energy: -0.566
local terms energy: -101.745867
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -16.456
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: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -251.137384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.137384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.137384 (E_RNA)
where:
Base-Base interactions energy: -155.758
where: short stacking energy: -81.874
Base-Backbone interact. energy: -0.179
local terms energy: -95.199907
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -24.940
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -251.714772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.714772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.714772 (E_RNA)
where:
Base-Base interactions energy: -151.550
where: short stacking energy: -88.473
Base-Backbone interact. energy: -0.114
local terms energy: -100.050781
where:
bonds (distance) C4'-P energy: -22.716
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -25.399
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -25.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -202.576258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.576258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.576258 (E_RNA)
where:
Base-Base interactions energy: -111.843
where: short stacking energy: -67.248
Base-Backbone interact. energy: -0.217
local terms energy: -90.516053
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -123.519554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.519554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.519554 (E_RNA)
where:
Base-Base interactions energy: -34.650
where: short stacking energy: -34.027
Base-Backbone interact. energy: -0.332
local terms energy: -88.537157
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -23.270
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -4.764
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: 8, replica: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -122.267969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.267969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.267969 (E_RNA)
where:
Base-Base interactions energy: -39.110
where: short stacking energy: -37.562
Base-Backbone interact. energy: 0.304
local terms energy: -83.462754
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -25.074
flat angles C4'-P-C4' energy: -20.190
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -130.910036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.910036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.910036 (E_RNA)
where:
Base-Base interactions energy: -52.006
where: short stacking energy: -44.304
Base-Backbone interact. energy: 0.314
local terms energy: -79.217374
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -103.248790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.248790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.248790 (E_RNA)
where:
Base-Base interactions energy: -36.502
where: short stacking energy: -36.211
Base-Backbone interact. energy: -0.468
local terms energy: -66.278382
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -331.746113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.746113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.746113 (E_RNA)
where:
Base-Base interactions energy: -212.388
where: short stacking energy: -103.037
Base-Backbone interact. energy: -0.614
local terms energy: -118.744869
where:
bonds (distance) C4'-P energy: -22.128
bonds (distance) P-C4' energy: -27.337
flat angles C4'-P-C4' energy: -24.786
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: -25.354
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: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -280.000388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.000388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.000388 (E_RNA)
where:
Base-Base interactions energy: -173.757
where: short stacking energy: -96.166
Base-Backbone interact. energy: -0.017
local terms energy: -106.226683
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -26.410
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -24.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -259.126681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.126681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.126681 (E_RNA)
where:
Base-Base interactions energy: -159.323
where: short stacking energy: -80.512
Base-Backbone interact. energy: -0.590
local terms energy: -99.213212
where:
bonds (distance) C4'-P energy: -23.958
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -16.913
tors. eta vs tors. theta energy: -20.087
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: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -283.935449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.935449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.935449 (E_RNA)
where:
Base-Base interactions energy: -181.888
where: short stacking energy: -97.100
Base-Backbone interact. energy: -0.264
local terms energy: -101.784079
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -29.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -242.153899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.153899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.153899 (E_RNA)
where:
Base-Base interactions energy: -138.268
where: short stacking energy: -89.543
Base-Backbone interact. energy: -0.005
local terms energy: -103.880774
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -249.098186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.098186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.098186 (E_RNA)
where:
Base-Base interactions energy: -158.455
where: short stacking energy: -90.169
Base-Backbone interact. energy: -0.003
local terms energy: -90.640716
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -24.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -127.358930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.358930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.358930 (E_RNA)
where:
Base-Base interactions energy: -56.967
where: short stacking energy: -56.967
Base-Backbone interact. energy: 0.650
local terms energy: -71.041580
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -22.670
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -8.104
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: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -112.009656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.009656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.009656 (E_RNA)
where:
Base-Base interactions energy: -38.188
where: short stacking energy: -35.559
Base-Backbone interact. energy: 0.092
local terms energy: -73.914338
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -24.484
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -10.211
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: 9, replica: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -112.859047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.859047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.859047 (E_RNA)
where:
Base-Base interactions energy: -36.733
where: short stacking energy: -28.304
Base-Backbone interact. energy: 0.306
local terms energy: -76.431866
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -135.199188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.199188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.199188 (E_RNA)
where:
Base-Base interactions energy: -69.136
where: short stacking energy: -40.377
Base-Backbone interact. energy: -0.162
local terms energy: -65.901056
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -14.514
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: 1, replica: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -320.048099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.048099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.048099 (E_RNA)
where:
Base-Base interactions energy: -208.943
where: short stacking energy: -95.586
Base-Backbone interact. energy: -0.534
local terms energy: -110.571094
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -28.050
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: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -280.691386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.691386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.691386 (E_RNA)
where:
Base-Base interactions energy: -179.071
where: short stacking energy: -83.485
Base-Backbone interact. energy: -0.242
local terms energy: -101.378512
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -16.387
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: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -262.912240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.912240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.912240 (E_RNA)
where:
Base-Base interactions energy: -159.934
where: short stacking energy: -73.502
Base-Backbone interact. energy: -0.364
local terms energy: -102.613755
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -22.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -286.567003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.567003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.567003 (E_RNA)
where:
Base-Base interactions energy: -181.771
where: short stacking energy: -97.131
Base-Backbone interact. energy: -1.582
local terms energy: -103.214025
where:
bonds (distance) C4'-P energy: -20.063
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -27.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -230.072141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.072141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.072141 (E_RNA)
where:
Base-Base interactions energy: -140.691
where: short stacking energy: -76.774
Base-Backbone interact. energy: -0.231
local terms energy: -89.150391
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -236.017184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.017184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.017184 (E_RNA)
where:
Base-Base interactions energy: -143.280
where: short stacking energy: -74.563
Base-Backbone interact. energy: -0.138
local terms energy: -92.598511
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -15.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -135.163261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.163261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.163261 (E_RNA)
where:
Base-Base interactions energy: -62.863
where: short stacking energy: -39.315
Base-Backbone interact. energy: 0.171
local terms energy: -72.470780
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -137.187034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.187034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.187034 (E_RNA)
where:
Base-Base interactions energy: -62.532
where: short stacking energy: -55.094
Base-Backbone interact. energy: -0.344
local terms energy: -74.311067
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -7.724
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: 9, replica: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -103.998434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.998434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.998434 (E_RNA)
where:
Base-Base interactions energy: -34.465
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.530
local terms energy: -69.002983
where:
bonds (distance) C4'-P energy: -24.875
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -7.061
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: 223
Temperature: 1.350000
Total energy: -125.606822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.606822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.606822 (E_RNA)
where:
Base-Base interactions energy: -59.792
where: short stacking energy: -31.180
Base-Backbone interact. energy: -0.616
local terms energy: -65.199080
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: 5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -326.016129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.016129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.016129 (E_RNA)
where:
Base-Base interactions energy: -210.419
where: short stacking energy: -95.273
Base-Backbone interact. energy: -0.601
local terms energy: -114.995781
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -26.188
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -28.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -279.607564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.607564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.607564 (E_RNA)
where:
Base-Base interactions energy: -169.581
where: short stacking energy: -90.406
Base-Backbone interact. energy: -0.078
local terms energy: -109.948649
where:
bonds (distance) C4'-P energy: -20.970
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -29.404
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: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -277.493182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.493182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.493182 (E_RNA)
where:
Base-Base interactions energy: -166.117
where: short stacking energy: -76.160
Base-Backbone interact. energy: -0.180
local terms energy: -111.195422
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -25.564
flat angles C4'-P-C4' energy: -23.919
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -26.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -269.621453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.621453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.621453 (E_RNA)
where:
Base-Base interactions energy: -174.329
where: short stacking energy: -88.311
Base-Backbone interact. energy: -0.018
local terms energy: -95.273819
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -23.600
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -26.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -249.236242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.236242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.236242 (E_RNA)
where:
Base-Base interactions energy: -151.675
where: short stacking energy: -79.181
Base-Backbone interact. energy: -0.032
local terms energy: -97.529350
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -22.474
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -21.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -217.829293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.829293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.829293 (E_RNA)
where:
Base-Base interactions energy: -123.964
where: short stacking energy: -73.447
Base-Backbone interact. energy: -0.184
local terms energy: -93.681354
where:
bonds (distance) C4'-P energy: -24.948
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -18.752
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: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -131.979862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.979862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.979862 (E_RNA)
where:
Base-Base interactions energy: -59.449
where: short stacking energy: -49.364
Base-Backbone interact. energy: -0.206
local terms energy: -72.325170
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -17.793
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: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -141.457935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.457935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.457935 (E_RNA)
where:
Base-Base interactions energy: -69.849
where: short stacking energy: -43.406
Base-Backbone interact. energy: -0.832
local terms energy: -70.776164
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: 0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -121.071058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.071058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.071058 (E_RNA)
where:
Base-Base interactions energy: -50.371
where: short stacking energy: -50.371
Base-Backbone interact. energy: -0.386
local terms energy: -70.314051
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -21.518
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -102.657555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.657555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.657555 (E_RNA)
where:
Base-Base interactions energy: -43.539
where: short stacking energy: -32.463
Base-Backbone interact. energy: 0.543
local terms energy: -59.661907
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -8.878
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: 0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -320.076501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.076501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.076501 (E_RNA)
where:
Base-Base interactions energy: -213.932
where: short stacking energy: -96.424
Base-Backbone interact. energy: -0.439
local terms energy: -105.705571
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -17.687
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: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -284.227633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.227633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.227633 (E_RNA)
where:
Base-Base interactions energy: -176.243
where: short stacking energy: -89.404
Base-Backbone interact. energy: -0.324
local terms energy: -107.660576
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -25.241
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -24.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -263.552152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.552152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.552152 (E_RNA)
where:
Base-Base interactions energy: -168.943
where: short stacking energy: -82.050
Base-Backbone interact. energy: -0.675
local terms energy: -93.933412
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -19.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -282.181824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.181824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.181824 (E_RNA)
where:
Base-Base interactions energy: -173.049
where: short stacking energy: -88.853
Base-Backbone interact. energy: -0.145
local terms energy: -108.987723
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -27.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -229.016371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.016371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.016371 (E_RNA)
where:
Base-Base interactions energy: -135.965
where: short stacking energy: -66.292
Base-Backbone interact. energy: -0.524
local terms energy: -92.527782
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -12.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -219.528197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.528197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.528197 (E_RNA)
where:
Base-Base interactions energy: -124.291
where: short stacking energy: -67.993
Base-Backbone interact. energy: 0.801
local terms energy: -96.038733
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -16.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -130.031621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.031621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.031621 (E_RNA)
where:
Base-Base interactions energy: -42.396
where: short stacking energy: -36.991
Base-Backbone interact. energy: 1.163
local terms energy: -88.798198
where:
bonds (distance) C4'-P energy: -23.222
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -8.192
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: 3
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -127.510515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.510515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.510515 (E_RNA)
where:
Base-Base interactions energy: -50.405
where: short stacking energy: -49.898
Base-Backbone interact. energy: -0.040
local terms energy: -77.064928
where:
bonds (distance) C4'-P energy: -21.142
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -9.084
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: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -170.066829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.066829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.066829 (E_RNA)
where:
Base-Base interactions energy: -96.219
where: short stacking energy: -50.126
Base-Backbone interact. energy: 0.062
local terms energy: -73.910311
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -13.010
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: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -103.051489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.051489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.051489 (E_RNA)
where:
Base-Base interactions energy: -28.720
where: short stacking energy: -28.720
Base-Backbone interact. energy: -0.639
local terms energy: -73.693375
where:
bonds (distance) C4'-P energy: -25.298
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -318.101795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.101795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.101795 (E_RNA)
where:
Base-Base interactions energy: -201.692
where: short stacking energy: -107.055
Base-Backbone interact. energy: -0.192
local terms energy: -116.218216
where:
bonds (distance) C4'-P energy: -24.155
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -30.957
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: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -286.998494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.998494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.998494 (E_RNA)
where:
Base-Base interactions energy: -177.387
where: short stacking energy: -96.905
Base-Backbone interact. energy: 0.630
local terms energy: -110.240888
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -26.921
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -30.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -300.989845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.989845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.989845 (E_RNA)
where:
Base-Base interactions energy: -185.071
where: short stacking energy: -111.588
Base-Backbone interact. energy: -0.137
local terms energy: -115.781669
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -23.538
flat angles C4'-P-C4' energy: -24.618
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -30.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -260.483047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.483047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.483047 (E_RNA)
where:
Base-Base interactions energy: -153.731
where: short stacking energy: -83.220
Base-Backbone interact. energy: -0.074
local terms energy: -106.678008
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -23.418
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -25.166
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: 226
Temperature: 1.100000
Total energy: -236.686976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.686976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.686976 (E_RNA)
where:
Base-Base interactions energy: -142.367
where: short stacking energy: -81.990
Base-Backbone interact. energy: -0.195
local terms energy: -94.124943
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -17.599
flat angles C4'-P-C4' energy: -23.479
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -233.425967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.425967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.425967 (E_RNA)
where:
Base-Base interactions energy: -137.815
where: short stacking energy: -66.853
Base-Backbone interact. energy: -0.185
local terms energy: -95.426018
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -23.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -124.723830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.723830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.723830 (E_RNA)
where:
Base-Base interactions energy: -55.618
where: short stacking energy: -50.303
Base-Backbone interact. energy: -0.317
local terms energy: -68.788644
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -123.298496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.298496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.298496 (E_RNA)
where:
Base-Base interactions energy: -38.074
where: short stacking energy: -36.864
Base-Backbone interact. energy: -0.280
local terms energy: -84.944338
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -8.412
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: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -105.510287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.510287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.510287 (E_RNA)
where:
Base-Base interactions energy: -29.668
where: short stacking energy: -29.056
Base-Backbone interact. energy: 0.388
local terms energy: -76.230405
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -133.673090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.673090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.673090 (E_RNA)
where:
Base-Base interactions energy: -60.704
where: short stacking energy: -23.404
Base-Backbone interact. energy: -0.540
local terms energy: -72.428185
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: 0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -314.829252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.829252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.829252 (E_RNA)
where:
Base-Base interactions energy: -195.467
where: short stacking energy: -106.693
Base-Backbone interact. energy: -0.399
local terms energy: -118.963297
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -30.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -283.035782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.035782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.035782 (E_RNA)
where:
Base-Base interactions energy: -170.771
where: short stacking energy: -97.070
Base-Backbone interact. energy: -0.149
local terms energy: -112.116090
where:
bonds (distance) C4'-P energy: -23.189
bonds (distance) P-C4' energy: -26.474
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -24.838
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: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -290.227448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.227448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.227448 (E_RNA)
where:
Base-Base interactions energy: -184.048
where: short stacking energy: -94.925
Base-Backbone interact. energy: -0.152
local terms energy: -106.027428
where:
bonds (distance) C4'-P energy: -23.355
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -22.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -263.668633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.668633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.668633 (E_RNA)
where:
Base-Base interactions energy: -154.922
where: short stacking energy: -92.691
Base-Backbone interact. energy: -0.001
local terms energy: -108.745350
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -25.554
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -226.051668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.051668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.051668 (E_RNA)
where:
Base-Base interactions energy: -127.501
where: short stacking energy: -73.511
Base-Backbone interact. energy: -0.513
local terms energy: -98.038042
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -18.229
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: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -248.866240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.866240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.866240 (E_RNA)
where:
Base-Base interactions energy: -154.682
where: short stacking energy: -79.754
Base-Backbone interact. energy: -0.211
local terms energy: -93.973555
where:
bonds (distance) C4'-P energy: -24.227
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -11.497
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: 7, replica: 3
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -138.882066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.882066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.882066 (E_RNA)
where:
Base-Base interactions energy: -56.566
where: short stacking energy: -38.215
Base-Backbone interact. energy: -0.219
local terms energy: -82.096734
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -124.373418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.373418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.373418 (E_RNA)
where:
Base-Base interactions energy: -53.044
where: short stacking energy: -52.560
Base-Backbone interact. energy: -0.059
local terms energy: -71.270761
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -19.198
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -105.631412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.631412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.631412 (E_RNA)
where:
Base-Base interactions energy: -34.895
where: short stacking energy: -36.095
Base-Backbone interact. energy: -0.274
local terms energy: -70.462245
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -3.757
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: 1
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -113.510763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.510763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.510763 (E_RNA)
where:
Base-Base interactions energy: -40.622
where: short stacking energy: -40.622
Base-Backbone interact. energy: 1.417
local terms energy: -74.305785
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -287.288279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.288279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.288279 (E_RNA)
where:
Base-Base interactions energy: -182.591
where: short stacking energy: -102.916
Base-Backbone interact. energy: -0.337
local terms energy: -104.359890
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -17.944
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: 9
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -304.674224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.674224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.674224 (E_RNA)
where:
Base-Base interactions energy: -190.632
where: short stacking energy: -108.675
Base-Backbone interact. energy: -0.431
local terms energy: -113.611461
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -26.757
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -28.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -272.866788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.866788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.866788 (E_RNA)
where:
Base-Base interactions energy: -160.497
where: short stacking energy: -90.842
Base-Backbone interact. energy: -2.035
local terms energy: -110.335371
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -27.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -273.031066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.031066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.031066 (E_RNA)
where:
Base-Base interactions energy: -171.656
where: short stacking energy: -76.317
Base-Backbone interact. energy: -0.819
local terms energy: -100.555432
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -14.823
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: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -236.907380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.907380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.907380 (E_RNA)
where:
Base-Base interactions energy: -157.811
where: short stacking energy: -76.012
Base-Backbone interact. energy: -0.644
local terms energy: -78.451952
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -225.639082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.639082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.639082 (E_RNA)
where:
Base-Base interactions energy: -142.723
where: short stacking energy: -81.102
Base-Backbone interact. energy: -0.155
local terms energy: -82.761706
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -22.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -124.212922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.212922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.212922 (E_RNA)
where:
Base-Base interactions energy: -50.475
where: short stacking energy: -50.475
Base-Backbone interact. energy: -0.129
local terms energy: -73.608766
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -8.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -111.127121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.127121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.127121 (E_RNA)
where:
Base-Base interactions energy: -42.787
where: short stacking energy: -39.785
Base-Backbone interact. energy: -0.233
local terms energy: -68.107264
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -105.740436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.740436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.740436 (E_RNA)
where:
Base-Base interactions energy: -26.914
where: short stacking energy: -25.038
Base-Backbone interact. energy: -1.004
local terms energy: -77.822058
where:
bonds (distance) C4'-P energy: -24.783
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -12.990
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: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -107.947401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.947401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.947401 (E_RNA)
where:
Base-Base interactions energy: -29.419
where: short stacking energy: -29.419
Base-Backbone interact. energy: -0.213
local terms energy: -78.315874
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -4.706
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: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -280.685151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.685151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.685151 (E_RNA)
where:
Base-Base interactions energy: -167.358
where: short stacking energy: -104.042
Base-Backbone interact. energy: 1.420
local terms energy: -114.747365
where:
bonds (distance) C4'-P energy: -23.015
bonds (distance) P-C4' energy: -24.227
flat angles C4'-P-C4' energy: -24.418
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -28.035
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: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -288.073400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.073400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.073400 (E_RNA)
where:
Base-Base interactions energy: -183.285
where: short stacking energy: -95.552
Base-Backbone interact. energy: -0.277
local terms energy: -104.511239
where:
bonds (distance) C4'-P energy: -20.828
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -24.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -282.908289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.908289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.908289 (E_RNA)
where:
Base-Base interactions energy: -173.074
where: short stacking energy: -80.878
Base-Backbone interact. energy: -1.221
local terms energy: -108.613770
where:
bonds (distance) C4'-P energy: -21.368
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -24.225
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: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -277.145920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.145920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.145920 (E_RNA)
where:
Base-Base interactions energy: -164.830
where: short stacking energy: -82.676
Base-Backbone interact. energy: -1.024
local terms energy: -111.291549
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -25.657
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -27.907
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: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -244.238614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.238614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.238614 (E_RNA)
where:
Base-Base interactions energy: -159.737
where: short stacking energy: -84.223
Base-Backbone interact. energy: -0.077
local terms energy: -84.423905
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -11.268
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: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -172.176808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.176808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.176808 (E_RNA)
where:
Base-Base interactions energy: -102.788
where: short stacking energy: -40.039
Base-Backbone interact. energy: -0.087
local terms energy: -69.301776
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -123.267074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.267074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.267074 (E_RNA)
where:
Base-Base interactions energy: -60.924
where: short stacking energy: -37.623
Base-Backbone interact. energy: -0.479
local terms energy: -61.863334
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: 1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -120.698075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.698075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.698075 (E_RNA)
where:
Base-Base interactions energy: -58.601
where: short stacking energy: -47.185
Base-Backbone interact. energy: -0.051
local terms energy: -62.045916
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -3.283
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: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -111.640818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.640818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.640818 (E_RNA)
where:
Base-Base interactions energy: -34.347
where: short stacking energy: -33.954
Base-Backbone interact. energy: 0.356
local terms energy: -77.650420
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -6.793
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: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -122.686248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.686248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.686248 (E_RNA)
where:
Base-Base interactions energy: -61.396
where: short stacking energy: -35.887
Base-Backbone interact. energy: -0.646
local terms energy: -60.644695
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: 3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -298.390334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.390334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.390334 (E_RNA)
where:
Base-Base interactions energy: -183.758
where: short stacking energy: -104.284
Base-Backbone interact. energy: -0.159
local terms energy: -114.473754
where:
bonds (distance) C4'-P energy: -21.076
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -32.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -279.834732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.834732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.834732 (E_RNA)
where:
Base-Base interactions energy: -167.525
where: short stacking energy: -91.917
Base-Backbone interact. energy: -0.200
local terms energy: -112.109715
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -25.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -285.265159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.265159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.265159 (E_RNA)
where:
Base-Base interactions energy: -178.605
where: short stacking energy: -91.208
Base-Backbone interact. energy: -0.090
local terms energy: -106.569636
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -14.980
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: 9
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -283.996114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.996114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.996114 (E_RNA)
where:
Base-Base interactions energy: -177.849
where: short stacking energy: -84.550
Base-Backbone interact. energy: -0.331
local terms energy: -105.815451
where:
bonds (distance) C4'-P energy: -25.109
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -237.583294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.583294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.583294 (E_RNA)
where:
Base-Base interactions energy: -150.388
where: short stacking energy: -78.724
Base-Backbone interact. energy: -0.441
local terms energy: -86.753920
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -210.614630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.614630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.614630 (E_RNA)
where:
Base-Base interactions energy: -127.248
where: short stacking energy: -74.708
Base-Backbone interact. energy: -0.150
local terms energy: -83.216624
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -25.104
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -121.900391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.900391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.900391 (E_RNA)
where:
Base-Base interactions energy: -57.118
where: short stacking energy: -51.378
Base-Backbone interact. energy: -0.290
local terms energy: -64.492652
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -23.987
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -10.800
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: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -125.719906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.719906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.719906 (E_RNA)
where:
Base-Base interactions energy: -44.430
where: short stacking energy: -44.430
Base-Backbone interact. energy: 0.557
local terms energy: -81.846801
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -9.587
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: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -112.387128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.387128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.387128 (E_RNA)
where:
Base-Base interactions energy: -40.555
where: short stacking energy: -40.258
Base-Backbone interact. energy: -0.344
local terms energy: -71.488483
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -110.412935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.412935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.412935 (E_RNA)
where:
Base-Base interactions energy: -52.906
where: short stacking energy: -30.852
Base-Backbone interact. energy: 1.787
local terms energy: -59.294158
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -1.953
tors. eta vs tors. theta energy: 0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -294.909226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.909226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.909226 (E_RNA)
where:
Base-Base interactions energy: -184.976
where: short stacking energy: -97.354
Base-Backbone interact. energy: 1.183
local terms energy: -111.115889
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -27.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -295.117293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.117293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.117293 (E_RNA)
where:
Base-Base interactions energy: -188.892
where: short stacking energy: -90.010
Base-Backbone interact. energy: 0.041
local terms energy: -106.266271
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -23.778
flat angles P-C4'-P energy: -17.795
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: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -281.045943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.045943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.045943 (E_RNA)
where:
Base-Base interactions energy: -172.946
where: short stacking energy: -98.435
Base-Backbone interact. energy: 1.508
local terms energy: -109.608440
where:
bonds (distance) C4'-P energy: -25.245
bonds (distance) P-C4' energy: -26.177
flat angles C4'-P-C4' energy: -24.885
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -24.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -277.500982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.500982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.500982 (E_RNA)
where:
Base-Base interactions energy: -174.165
where: short stacking energy: -96.531
Base-Backbone interact. energy: -0.253
local terms energy: -103.083506
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -23.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -240.675708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.675708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.675708 (E_RNA)
where:
Base-Base interactions energy: -139.480
where: short stacking energy: -65.906
Base-Backbone interact. energy: -0.511
local terms energy: -100.685150
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -23.605
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -198.285576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.285576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.285576 (E_RNA)
where:
Base-Base interactions energy: -119.534
where: short stacking energy: -57.395
Base-Backbone interact. energy: -0.211
local terms energy: -78.540060
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -21.070
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -9.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -134.817572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.817572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.817572 (E_RNA)
where:
Base-Base interactions energy: -56.190
where: short stacking energy: -56.190
Base-Backbone interact. energy: -0.051
local terms energy: -78.576964
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -123.082693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.082693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.082693 (E_RNA)
where:
Base-Base interactions energy: -41.696
where: short stacking energy: -32.511
Base-Backbone interact. energy: 0.743
local terms energy: -82.129813
where:
bonds (distance) C4'-P energy: -23.943
bonds (distance) P-C4' energy: -26.498
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -11.058
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: 231
Temperature: 1.300000
Total energy: -114.023065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.023065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.023065 (E_RNA)
where:
Base-Base interactions energy: -36.520
where: short stacking energy: -31.035
Base-Backbone interact. energy: -0.216
local terms energy: -77.287034
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -8.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -96.836624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.836624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.836624 (E_RNA)
where:
Base-Base interactions energy: -31.975
where: short stacking energy: -23.627
Base-Backbone interact. energy: -0.273
local terms energy: -64.588623
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: 0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -310.441281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.441281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.441281 (E_RNA)
where:
Base-Base interactions energy: -197.228
where: short stacking energy: -99.798
Base-Backbone interact. energy: 0.957
local terms energy: -114.169744
where:
bonds (distance) C4'-P energy: -25.292
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -24.726
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -27.910
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: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -292.682602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.682602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.682602 (E_RNA)
where:
Base-Base interactions energy: -169.549
where: short stacking energy: -104.442
Base-Backbone interact. energy: -0.079
local terms energy: -123.054472
where:
bonds (distance) C4'-P energy: -22.530
bonds (distance) P-C4' energy: -24.616
flat angles C4'-P-C4' energy: -26.102
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: -31.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -287.425987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.425987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.425987 (E_RNA)
where:
Base-Base interactions energy: -177.661
where: short stacking energy: -108.853
Base-Backbone interact. energy: -0.002
local terms energy: -109.762749
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -27.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -282.876936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.876936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.876936 (E_RNA)
where:
Base-Base interactions energy: -182.742
where: short stacking energy: -90.146
Base-Backbone interact. energy: -1.271
local terms energy: -98.863533
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -26.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -243.138556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.138556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.138556 (E_RNA)
where:
Base-Base interactions energy: -147.941
where: short stacking energy: -70.003
Base-Backbone interact. energy: -1.364
local terms energy: -93.833825
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -23.916
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -18.134
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -229.273381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.273381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.273381 (E_RNA)
where:
Base-Base interactions energy: -136.013
where: short stacking energy: -78.081
Base-Backbone interact. energy: -0.290
local terms energy: -92.970503
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -21.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -166.321160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.321160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.321160 (E_RNA)
where:
Base-Base interactions energy: -87.243
where: short stacking energy: -50.821
Base-Backbone interact. energy: -0.299
local terms energy: -78.778769
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -22.499
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -12.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -119.999758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.999758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.999758 (E_RNA)
where:
Base-Base interactions energy: -42.128
where: short stacking energy: -42.128
Base-Backbone interact. energy: -0.080
local terms energy: -77.791942
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -110.071864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.071864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.071864 (E_RNA)
where:
Base-Base interactions energy: -36.612
where: short stacking energy: -36.612
Base-Backbone interact. energy: -0.147
local terms energy: -73.312860
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -12.728
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: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -103.760217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.760217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.760217 (E_RNA)
where:
Base-Base interactions energy: -33.416
where: short stacking energy: -33.416
Base-Backbone interact. energy: 0.123
local terms energy: -70.467641
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -317.163587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.163587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.163587 (E_RNA)
where:
Base-Base interactions energy: -208.165
where: short stacking energy: -106.115
Base-Backbone interact. energy: -0.164
local terms energy: -108.834937
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -26.236
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -28.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -292.498315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.498315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.498315 (E_RNA)
where:
Base-Base interactions energy: -188.284
where: short stacking energy: -110.603
Base-Backbone interact. energy: -0.023
local terms energy: -104.191219
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -29.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -254.945651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.945651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.945651 (E_RNA)
where:
Base-Base interactions energy: -153.008
where: short stacking energy: -73.348
Base-Backbone interact. energy: -0.449
local terms energy: -101.488604
where:
bonds (distance) C4'-P energy: -24.480
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -16.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -284.654573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.654573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.654573 (E_RNA)
where:
Base-Base interactions energy: -185.583
where: short stacking energy: -96.290
Base-Backbone interact. energy: -0.468
local terms energy: -98.603849
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -22.385
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -23.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -234.850554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.850554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.850554 (E_RNA)
where:
Base-Base interactions energy: -140.308
where: short stacking energy: -61.693
Base-Backbone interact. energy: -0.145
local terms energy: -94.398075
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -15.994
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: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -229.930688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.930688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.930688 (E_RNA)
where:
Base-Base interactions energy: -140.679
where: short stacking energy: -75.363
Base-Backbone interact. energy: -0.227
local terms energy: -89.024361
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -18.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -161.761564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.761564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.761564 (E_RNA)
where:
Base-Base interactions energy: -84.507
where: short stacking energy: -55.898
Base-Backbone interact. energy: -0.490
local terms energy: -76.763989
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -111.027648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.027648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.027648 (E_RNA)
where:
Base-Base interactions energy: -48.478
where: short stacking energy: -48.343
Base-Backbone interact. energy: -0.269
local terms energy: -62.280248
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -2.646
tors. eta vs tors. theta energy: 1.390
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: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -116.443495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.443495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.443495 (E_RNA)
where:
Base-Base interactions energy: -42.984
where: short stacking energy: -37.959
Base-Backbone interact. energy: -0.347
local terms energy: -73.112994
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -25.346
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: 3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -111.420628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.420628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.420628 (E_RNA)
where:
Base-Base interactions energy: -31.963
where: short stacking energy: -31.963
Base-Backbone interact. energy: -0.120
local terms energy: -79.338062
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -23.886
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: 1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -302.071665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.071665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.071665 (E_RNA)
where:
Base-Base interactions energy: -191.449
where: short stacking energy: -119.038
Base-Backbone interact. energy: 1.397
local terms energy: -112.020355
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -24.690
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -34.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -303.231801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.231801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.231801 (E_RNA)
where:
Base-Base interactions energy: -195.272
where: short stacking energy: -94.092
Base-Backbone interact. energy: -0.157
local terms energy: -107.803283
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -27.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -299.970684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.970684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.970684 (E_RNA)
where:
Base-Base interactions energy: -195.434
where: short stacking energy: -99.860
Base-Backbone interact. energy: -0.662
local terms energy: -103.874994
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -31.547
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: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -265.829775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.829775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.829775 (E_RNA)
where:
Base-Base interactions energy: -166.794
where: short stacking energy: -91.575
Base-Backbone interact. energy: 0.447
local terms energy: -99.482552
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -25.732
flat angles C4'-P-C4' energy: -23.090
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -27.031
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: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -225.067319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.067319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.067319 (E_RNA)
where:
Base-Base interactions energy: -139.414
where: short stacking energy: -77.815
Base-Backbone interact. energy: 1.020
local terms energy: -86.674048
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -23.215
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -17.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -232.190586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.190586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.190586 (E_RNA)
where:
Base-Base interactions energy: -149.555
where: short stacking energy: -69.112
Base-Backbone interact. energy: 0.263
local terms energy: -82.898463
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -10.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -131.069534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.069534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.069534 (E_RNA)
where:
Base-Base interactions energy: -50.597
where: short stacking energy: -45.755
Base-Backbone interact. energy: -0.042
local terms energy: -80.430556
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -14.442
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: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -125.682935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.682935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.682935 (E_RNA)
where:
Base-Base interactions energy: -35.658
where: short stacking energy: -35.658
Base-Backbone interact. energy: -0.233
local terms energy: -89.791809
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -23.494
flat angles P-C4'-P energy: -16.941
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: 9, replica: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -103.149894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.149894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.149894 (E_RNA)
where:
Base-Base interactions energy: -41.500
where: short stacking energy: -39.753
Base-Backbone interact. energy: -0.246
local terms energy: -61.403416
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -3.886
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -99.128366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.128366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.128366 (E_RNA)
where:
Base-Base interactions energy: -37.844
where: short stacking energy: -37.844
Base-Backbone interact. energy: 0.686
local terms energy: -61.970013
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: 0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -301.599270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.599270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.599270 (E_RNA)
where:
Base-Base interactions energy: -192.313
where: short stacking energy: -107.033
Base-Backbone interact. energy: -0.070
local terms energy: -109.216437
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -19.339
tors. eta vs tors. theta energy: -28.864
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: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -313.256621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.256621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.256621 (E_RNA)
where:
Base-Base interactions energy: -210.182
where: short stacking energy: -101.300
Base-Backbone interact. energy: -0.377
local terms energy: -102.697686
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -23.672
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: -24.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -302.088524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.088524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.088524 (E_RNA)
where:
Base-Base interactions energy: -198.133
where: short stacking energy: -95.829
Base-Backbone interact. energy: -0.313
local terms energy: -103.642818
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -25.001
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -281.224530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.224530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.224530 (E_RNA)
where:
Base-Base interactions energy: -174.938
where: short stacking energy: -101.225
Base-Backbone interact. energy: -0.040
local terms energy: -106.246173
where:
bonds (distance) C4'-P energy: -20.933
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -255.820341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.820341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.820341 (E_RNA)
where:
Base-Base interactions energy: -153.998
where: short stacking energy: -97.755
Base-Backbone interact. energy: -0.354
local terms energy: -101.468230
where:
bonds (distance) C4'-P energy: -27.414
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -22.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -227.195560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.195560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.195560 (E_RNA)
where:
Base-Base interactions energy: -145.763
where: short stacking energy: -74.936
Base-Backbone interact. energy: -0.115
local terms energy: -81.317549
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -10.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -129.328914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.328914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.328914 (E_RNA)
where:
Base-Base interactions energy: -55.244
where: short stacking energy: -46.109
Base-Backbone interact. energy: -1.046
local terms energy: -73.038720
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: 0.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -107.832224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.832224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.832224 (E_RNA)
where:
Base-Base interactions energy: -38.312
where: short stacking energy: -38.312
Base-Backbone interact. energy: -0.135
local terms energy: -69.385355
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -0.860
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: 9, replica: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -114.245348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.245348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.245348 (E_RNA)
where:
Base-Base interactions energy: -35.724
where: short stacking energy: -35.724
Base-Backbone interact. energy: -0.280
local terms energy: -78.241555
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -25.245
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -9.394
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: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -116.022666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.022666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.022666 (E_RNA)
where:
Base-Base interactions energy: -46.490
where: short stacking energy: -46.490
Base-Backbone interact. energy: -0.050
local terms energy: -69.483028
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -1.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -309.261519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.261519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.261519 (E_RNA)
where:
Base-Base interactions energy: -199.329
where: short stacking energy: -87.757
Base-Backbone interact. energy: -0.399
local terms energy: -109.533341
where:
bonds (distance) C4'-P energy: -21.851
bonds (distance) P-C4' energy: -23.781
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -25.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -294.511128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.511128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.511128 (E_RNA)
where:
Base-Base interactions energy: -183.274
where: short stacking energy: -98.803
Base-Backbone interact. energy: 0.650
local terms energy: -111.887076
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -25.052
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -24.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -309.658764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.658764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.658764 (E_RNA)
where:
Base-Base interactions energy: -196.794
where: short stacking energy: -106.589
Base-Backbone interact. energy: -0.047
local terms energy: -112.817977
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -25.393
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -29.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -274.613490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.613490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.613490 (E_RNA)
where:
Base-Base interactions energy: -169.023
where: short stacking energy: -90.492
Base-Backbone interact. energy: -0.018
local terms energy: -105.572862
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -29.372
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: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -238.305570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.305570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.305570 (E_RNA)
where:
Base-Base interactions energy: -152.186
where: short stacking energy: -68.724
Base-Backbone interact. energy: -0.292
local terms energy: -85.827600
where:
bonds (distance) C4'-P energy: -21.540
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -13.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -218.200860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.200860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.200860 (E_RNA)
where:
Base-Base interactions energy: -126.315
where: short stacking energy: -66.923
Base-Backbone interact. energy: 2.167
local terms energy: -94.052963
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -9.829
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: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -128.558611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.558611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.558611 (E_RNA)
where:
Base-Base interactions energy: -55.383
where: short stacking energy: -52.665
Base-Backbone interact. energy: -0.227
local terms energy: -72.947673
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -121.673085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.673085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.673085 (E_RNA)
where:
Base-Base interactions energy: -49.636
where: short stacking energy: -45.894
Base-Backbone interact. energy: -0.128
local terms energy: -71.908889
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -108.907117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.907117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.907117 (E_RNA)
where:
Base-Base interactions energy: -42.949
where: short stacking energy: -42.629
Base-Backbone interact. energy: -0.277
local terms energy: -65.680926
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -4.373
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: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -98.249698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.249698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.249698 (E_RNA)
where:
Base-Base interactions energy: -42.078
where: short stacking energy: -26.726
Base-Backbone interact. energy: -0.677
local terms energy: -55.495337
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: 3.427
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: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -311.187372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.187372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.187372 (E_RNA)
where:
Base-Base interactions energy: -203.829
where: short stacking energy: -105.506
Base-Backbone interact. energy: 1.991
local terms energy: -109.348929
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -25.722
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -29.239
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: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -313.649786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.649786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.649786 (E_RNA)
where:
Base-Base interactions energy: -203.074
where: short stacking energy: -110.443
Base-Backbone interact. energy: -0.084
local terms energy: -110.491971
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -22.773
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -29.518
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: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -305.965103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.965103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.965103 (E_RNA)
where:
Base-Base interactions energy: -189.694
where: short stacking energy: -100.203
Base-Backbone interact. energy: -0.096
local terms energy: -116.175183
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -35.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -261.320525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.320525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.320525 (E_RNA)
where:
Base-Base interactions energy: -169.774
where: short stacking energy: -83.437
Base-Backbone interact. energy: 0.057
local terms energy: -91.603555
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -255.154755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.154755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.154755 (E_RNA)
where:
Base-Base interactions energy: -158.328
where: short stacking energy: -85.959
Base-Backbone interact. energy: -0.037
local terms energy: -96.788960
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -203.069840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.069840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.069840 (E_RNA)
where:
Base-Base interactions energy: -121.204
where: short stacking energy: -65.776
Base-Backbone interact. energy: 2.313
local terms energy: -84.178956
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -26.118
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -12.091
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: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -117.937235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.937235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.937235 (E_RNA)
where:
Base-Base interactions energy: -40.638
where: short stacking energy: -40.638
Base-Backbone interact. energy: 0.700
local terms energy: -77.999171
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -15.594
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: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -130.424372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.424372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.424372 (E_RNA)
where:
Base-Base interactions energy: -58.888
where: short stacking energy: -57.878
Base-Backbone interact. energy: -0.104
local terms energy: -71.432248
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -9.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -115.839167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.839167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.839167 (E_RNA)
where:
Base-Base interactions energy: -48.074
where: short stacking energy: -46.442
Base-Backbone interact. energy: -0.254
local terms energy: -67.510956
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -8.342
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: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -114.223250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.223250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.223250 (E_RNA)
where:
Base-Base interactions energy: -35.956
where: short stacking energy: -33.785
Base-Backbone interact. energy: 0.264
local terms energy: -78.531359
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -21.967
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -311.393534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.393534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.393534 (E_RNA)
where:
Base-Base interactions energy: -207.331
where: short stacking energy: -100.960
Base-Backbone interact. energy: -0.158
local terms energy: -103.904876
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -24.782
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -29.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -309.251317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.251317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.251317 (E_RNA)
where:
Base-Base interactions energy: -191.012
where: short stacking energy: -101.431
Base-Backbone interact. energy: 0.116
local terms energy: -118.355251
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -26.738
flat angles P-C4'-P energy: -18.504
tors. eta vs tors. theta energy: -30.782
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: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -289.710770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.710770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.710770 (E_RNA)
where:
Base-Base interactions energy: -183.291
where: short stacking energy: -99.965
Base-Backbone interact. energy: -0.059
local terms energy: -106.360588
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -26.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -243.754388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.754388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.754388 (E_RNA)
where:
Base-Base interactions energy: -160.211
where: short stacking energy: -80.554
Base-Backbone interact. energy: -0.207
local terms energy: -83.336321
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -11.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -253.282871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.282871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.282871 (E_RNA)
where:
Base-Base interactions energy: -154.560
where: short stacking energy: -78.234
Base-Backbone interact. energy: -0.021
local terms energy: -98.701645
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -24.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -215.382493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.382493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.382493 (E_RNA)
where:
Base-Base interactions energy: -129.109
where: short stacking energy: -72.451
Base-Backbone interact. energy: -0.182
local terms energy: -86.091093
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -129.968312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.968312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.968312 (E_RNA)
where:
Base-Base interactions energy: -55.862
where: short stacking energy: -51.304
Base-Backbone interact. energy: -1.215
local terms energy: -72.891409
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -13.309
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: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -161.708101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.708101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.708101 (E_RNA)
where:
Base-Base interactions energy: -87.134
where: short stacking energy: -50.041
Base-Backbone interact. energy: -0.243
local terms energy: -74.330856
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: -9.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -107.351771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.351771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.351771 (E_RNA)
where:
Base-Base interactions energy: -33.730
where: short stacking energy: -30.399
Base-Backbone interact. energy: -0.225
local terms energy: -73.396945
where:
bonds (distance) C4'-P energy: -24.889
bonds (distance) P-C4' energy: -26.092
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: 3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -120.958272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.958272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.958272 (E_RNA)
where:
Base-Base interactions energy: -48.643
where: short stacking energy: -43.897
Base-Backbone interact. energy: -0.147
local terms energy: -72.168619
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -6.938
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: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -326.210227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.210227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.210227 (E_RNA)
where:
Base-Base interactions energy: -202.912
where: short stacking energy: -111.993
Base-Backbone interact. energy: 0.095
local terms energy: -123.393772
where:
bonds (distance) C4'-P energy: -21.731
bonds (distance) P-C4' energy: -24.380
flat angles C4'-P-C4' energy: -26.715
flat angles P-C4'-P energy: -17.520
tors. eta vs tors. theta energy: -33.047
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: 239
Temperature: 0.950000
Total energy: -300.050777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.050777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.050777 (E_RNA)
where:
Base-Base interactions energy: -188.163
where: short stacking energy: -94.339
Base-Backbone interact. energy: -1.100
local terms energy: -110.787550
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -26.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -259.550551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.550551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.550551 (E_RNA)
where:
Base-Base interactions energy: -156.091
where: short stacking energy: -70.841
Base-Backbone interact. energy: -0.934
local terms energy: -102.525349
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -21.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -259.588824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.588824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.588824 (E_RNA)
where:
Base-Base interactions energy: -153.349
where: short stacking energy: -86.356
Base-Backbone interact. energy: -0.285
local terms energy: -105.955187
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -22.963
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -26.050
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: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -237.626803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.626803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.626803 (E_RNA)
where:
Base-Base interactions energy: -144.960
where: short stacking energy: -68.637
Base-Backbone interact. energy: -0.039
local terms energy: -92.628756
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -220.614526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.614526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.614526 (E_RNA)
where:
Base-Base interactions energy: -124.990
where: short stacking energy: -67.990
Base-Backbone interact. energy: -0.147
local terms energy: -95.477133
where:
bonds (distance) C4'-P energy: -21.595
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -10.675
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: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -146.244545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.244545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.244545 (E_RNA)
where:
Base-Base interactions energy: -60.053
where: short stacking energy: -59.341
Base-Backbone interact. energy: -0.015
local terms energy: -86.176861
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -11.035
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: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -124.033879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.033879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.033879 (E_RNA)
where:
Base-Base interactions energy: -56.815
where: short stacking energy: -40.207
Base-Backbone interact. energy: -0.361
local terms energy: -66.858256
where:
bonds (distance) C4'-P energy: -6.381
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -154.514099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.514099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.514099 (E_RNA)
where:
Base-Base interactions energy: -76.817
where: short stacking energy: -51.151
Base-Backbone interact. energy: 0.959
local terms energy: -78.656533
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -10.389
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: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -104.115916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.115916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.115916 (E_RNA)
where:
Base-Base interactions energy: -31.907
where: short stacking energy: -31.907
Base-Backbone interact. energy: -0.110
local terms energy: -72.099511
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -5.775
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: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -311.650708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.650708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.650708 (E_RNA)
where:
Base-Base interactions energy: -196.951
where: short stacking energy: -93.643
Base-Backbone interact. energy: -0.713
local terms energy: -113.986504
where:
bonds (distance) C4'-P energy: -25.113
bonds (distance) P-C4' energy: -23.795
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -28.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -301.528062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.528062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.528062 (E_RNA)
where:
Base-Base interactions energy: -198.168
where: short stacking energy: -95.970
Base-Backbone interact. energy: -0.079
local terms energy: -103.280840
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -26.350
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -26.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -272.328619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.328619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.328619 (E_RNA)
where:
Base-Base interactions energy: -173.651
where: short stacking energy: -97.901
Base-Backbone interact. energy: 0.060
local terms energy: -98.737400
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -24.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -272.612760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.612760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.612760 (E_RNA)
where:
Base-Base interactions energy: -168.314
where: short stacking energy: -99.665
Base-Backbone interact. energy: -0.088
local terms energy: -104.210780
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -22.703
flat angles C4'-P-C4' energy: -22.797
flat angles P-C4'-P energy: -14.837
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: 5, replica: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -233.341231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.341231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.341231 (E_RNA)
where:
Base-Base interactions energy: -134.264
where: short stacking energy: -70.505
Base-Backbone interact. energy: -0.319
local terms energy: -98.758289
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -17.588
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: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -235.143469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.143469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.143469 (E_RNA)
where:
Base-Base interactions energy: -148.390
where: short stacking energy: -72.395
Base-Backbone interact. energy: 1.628
local terms energy: -88.381496
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -137.195751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.195751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.195751 (E_RNA)
where:
Base-Base interactions energy: -53.617
where: short stacking energy: -43.054
Base-Backbone interact. energy: -2.661
local terms energy: -80.917095
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -6.117
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: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -134.687221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.687221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.687221 (E_RNA)
where:
Base-Base interactions energy: -47.774
where: short stacking energy: -42.066
Base-Backbone interact. energy: 0.143
local terms energy: -87.056421
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -11.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -112.338596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.338596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.338596 (E_RNA)
where:
Base-Base interactions energy: -37.751
where: short stacking energy: -37.751
Base-Backbone interact. energy: -0.417
local terms energy: -74.170472
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -98.071099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.071099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.071099 (E_RNA)
where:
Base-Base interactions energy: -29.160
where: short stacking energy: -26.676
Base-Backbone interact. energy: -1.592
local terms energy: -67.319025
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -310.350631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.350631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.350631 (E_RNA)
where:
Base-Base interactions energy: -200.626
where: short stacking energy: -104.990
Base-Backbone interact. energy: -0.128
local terms energy: -109.596538
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -28.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -312.868037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.868037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.868037 (E_RNA)
where:
Base-Base interactions energy: -201.690
where: short stacking energy: -100.607
Base-Backbone interact. energy: -0.270
local terms energy: -110.907860
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -16.670
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: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -290.714574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.714574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.714574 (E_RNA)
where:
Base-Base interactions energy: -177.732
where: short stacking energy: -93.404
Base-Backbone interact. energy: -0.028
local terms energy: -112.953966
where:
bonds (distance) C4'-P energy: -20.594
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -23.385
flat angles P-C4'-P energy: -20.410
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: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -258.273068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.273068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.273068 (E_RNA)
where:
Base-Base interactions energy: -142.520
where: short stacking energy: -78.331
Base-Backbone interact. energy: -0.055
local terms energy: -115.698104
where:
bonds (distance) C4'-P energy: -24.820
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -25.537
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -23.223
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: 241
Temperature: 1.100000
Total energy: -234.893613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.893613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.893613 (E_RNA)
where:
Base-Base interactions energy: -139.048
where: short stacking energy: -67.852
Base-Backbone interact. energy: -0.047
local terms energy: -95.799112
where:
bonds (distance) C4'-P energy: -23.085
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -18.444
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: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -257.337961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.337961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.337961 (E_RNA)
where:
Base-Base interactions energy: -162.780
where: short stacking energy: -83.550
Base-Backbone interact. energy: -0.328
local terms energy: -94.230148
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -15.900
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: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -110.812990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.812990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.812990 (E_RNA)
where:
Base-Base interactions energy: -39.922
where: short stacking energy: -41.575
Base-Backbone interact. energy: 1.526
local terms energy: -72.416556
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -118.108920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.108920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.108920 (E_RNA)
where:
Base-Base interactions energy: -35.424
where: short stacking energy: -35.424
Base-Backbone interact. energy: -0.183
local terms energy: -82.501795
where:
bonds (distance) C4'-P energy: -24.287
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -2.960
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: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -110.897832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.897832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.897832 (E_RNA)
where:
Base-Base interactions energy: -40.212
where: short stacking energy: -37.012
Base-Backbone interact. energy: -0.072
local terms energy: -70.613520
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -10.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -97.737964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.737964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.737964 (E_RNA)
where:
Base-Base interactions energy: -26.683
where: short stacking energy: -26.663
Base-Backbone interact. energy: 2.432
local terms energy: -73.487650
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -327.099035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.099035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.099035 (E_RNA)
where:
Base-Base interactions energy: -214.656
where: short stacking energy: -113.085
Base-Backbone interact. energy: -0.319
local terms energy: -112.124340
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -31.360
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: 242
Temperature: 0.950000
Total energy: -312.483317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.483317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.483317 (E_RNA)
where:
Base-Base interactions energy: -194.111
where: short stacking energy: -94.385
Base-Backbone interact. energy: -0.001
local terms energy: -118.371357
where:
bonds (distance) C4'-P energy: -24.392
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -29.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -296.674304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.674304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.674304 (E_RNA)
where:
Base-Base interactions energy: -173.717
where: short stacking energy: -95.680
Base-Backbone interact. energy: -0.004
local terms energy: -122.954172
where:
bonds (distance) C4'-P energy: -28.027
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -26.451
flat angles P-C4'-P energy: -18.320
tors. eta vs tors. theta energy: -29.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -264.500962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.500962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.500962 (E_RNA)
where:
Base-Base interactions energy: -161.037
where: short stacking energy: -90.124
Base-Backbone interact. energy: -0.097
local terms energy: -103.367563
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -23.451
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -21.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -233.927947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.927947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.927947 (E_RNA)
where:
Base-Base interactions energy: -139.314
where: short stacking energy: -80.066
Base-Backbone interact. energy: 0.220
local terms energy: -94.834129
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -24.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -225.732275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.732275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.732275 (E_RNA)
where:
Base-Base interactions energy: -146.211
where: short stacking energy: -66.045
Base-Backbone interact. energy: -0.335
local terms energy: -79.186596
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -11.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -122.608613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.608613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.608613 (E_RNA)
where:
Base-Base interactions energy: -41.756
where: short stacking energy: -41.756
Base-Backbone interact. energy: -0.095
local terms energy: -80.757499
where:
bonds (distance) C4'-P energy: -23.171
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -11.136
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: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -114.507856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.507856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.507856 (E_RNA)
where:
Base-Base interactions energy: -39.058
where: short stacking energy: -39.058
Base-Backbone interact. energy: 0.069
local terms energy: -75.518754
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -11.134
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: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -109.918654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.918654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.918654 (E_RNA)
where:
Base-Base interactions energy: -52.060
where: short stacking energy: -38.992
Base-Backbone interact. energy: -0.111
local terms energy: -57.748162
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -113.068611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.068611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.068611 (E_RNA)
where:
Base-Base interactions energy: -45.789
where: short stacking energy: -38.683
Base-Backbone interact. energy: -0.568
local terms energy: -66.711996
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -10.340
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: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -322.468107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.468107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.468107 (E_RNA)
where:
Base-Base interactions energy: -209.890
where: short stacking energy: -104.489
Base-Backbone interact. energy: -1.389
local terms energy: -111.188922
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -28.762
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: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -321.008352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.008352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.008352 (E_RNA)
where:
Base-Base interactions energy: -204.744
where: short stacking energy: -104.267
Base-Backbone interact. energy: -0.016
local terms energy: -116.247710
where:
bonds (distance) C4'-P energy: -26.749
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -26.072
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -31.145
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: 3, replica: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -300.139241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.139241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.139241 (E_RNA)
where:
Base-Base interactions energy: -186.405
where: short stacking energy: -106.055
Base-Backbone interact. energy: -0.300
local terms energy: -113.434211
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -24.895
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -32.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -236.471184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.471184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.471184 (E_RNA)
where:
Base-Base interactions energy: -148.316
where: short stacking energy: -79.892
Base-Backbone interact. energy: -0.372
local terms energy: -87.782990
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -13.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -250.677173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.677173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.677173 (E_RNA)
where:
Base-Base interactions energy: -158.922
where: short stacking energy: -77.321
Base-Backbone interact. energy: -1.145
local terms energy: -90.610503
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -20.793
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -242.778285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.778285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.778285 (E_RNA)
where:
Base-Base interactions energy: -155.544
where: short stacking energy: -57.523
Base-Backbone interact. energy: 4.243
local terms energy: -91.477459
where:
bonds (distance) C4'-P energy: -26.119
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -127.553804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.553804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.553804 (E_RNA)
where:
Base-Base interactions energy: -47.233
where: short stacking energy: -44.527
Base-Backbone interact. energy: -0.121
local terms energy: -80.199286
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -130.849650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.849650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.849650 (E_RNA)
where:
Base-Base interactions energy: -50.102
where: short stacking energy: -48.957
Base-Backbone interact. energy: -0.090
local terms energy: -80.657831
where:
bonds (distance) C4'-P energy: -22.235
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -11.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -119.160761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.160761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.160761 (E_RNA)
where:
Base-Base interactions energy: -42.494
where: short stacking energy: -41.097
Base-Backbone interact. energy: -0.301
local terms energy: -76.365279
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -115.839499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.839499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.839499 (E_RNA)
where:
Base-Base interactions energy: -44.201
where: short stacking energy: -31.343
Base-Backbone interact. energy: 0.960
local terms energy: -72.598444
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -323.366966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.366966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.366966 (E_RNA)
where:
Base-Base interactions energy: -209.471
where: short stacking energy: -110.526
Base-Backbone interact. energy: -0.096
local terms energy: -113.800111
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -33.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -312.018179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.018179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.018179 (E_RNA)
where:
Base-Base interactions energy: -206.542
where: short stacking energy: -102.698
Base-Backbone interact. energy: -0.633
local terms energy: -104.842533
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -19.069
tors. eta vs tors. theta energy: -24.266
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: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -266.251376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.251376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.251376 (E_RNA)
where:
Base-Base interactions energy: -168.743
where: short stacking energy: -83.384
Base-Backbone interact. energy: -0.420
local terms energy: -97.088072
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -15.285
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: 244
Temperature: 1.050000
Total energy: -224.589672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.589672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.589672 (E_RNA)
where:
Base-Base interactions energy: -138.038
where: short stacking energy: -76.772
Base-Backbone interact. energy: -0.668
local terms energy: -85.884448
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -9.505
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: 8
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -250.732354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.732354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.732354 (E_RNA)
where:
Base-Base interactions energy: -162.157
where: short stacking energy: -67.405
Base-Backbone interact. energy: -0.296
local terms energy: -88.279621
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -226.215408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.215408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.215408 (E_RNA)
where:
Base-Base interactions energy: -133.920
where: short stacking energy: -62.920
Base-Backbone interact. energy: -0.010
local terms energy: -92.285113
where:
bonds (distance) C4'-P energy: -22.045
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -132.099140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.099140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.099140 (E_RNA)
where:
Base-Base interactions energy: -50.534
where: short stacking energy: -45.541
Base-Backbone interact. energy: -0.412
local terms energy: -81.153597
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -11.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -116.883012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.883012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.883012 (E_RNA)
where:
Base-Base interactions energy: -42.735
where: short stacking energy: -42.735
Base-Backbone interact. energy: -1.022
local terms energy: -73.126224
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -111.196467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.196467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.196467 (E_RNA)
where:
Base-Base interactions energy: -41.753
where: short stacking energy: -39.851
Base-Backbone interact. energy: 0.013
local terms energy: -69.456487
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -111.526294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.526294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.526294 (E_RNA)
where:
Base-Base interactions energy: -46.761
where: short stacking energy: -45.999
Base-Backbone interact. energy: -0.813
local terms energy: -63.952677
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -329.224576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.224576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.224576 (E_RNA)
where:
Base-Base interactions energy: -203.548
where: short stacking energy: -108.912
Base-Backbone interact. energy: -0.090
local terms energy: -125.587317
where:
bonds (distance) C4'-P energy: -23.673
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -26.883
flat angles P-C4'-P energy: -19.720
tors. eta vs tors. theta energy: -33.041
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: 245
Temperature: 0.950000
Total energy: -296.517981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.517981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.517981 (E_RNA)
where:
Base-Base interactions energy: -201.082
where: short stacking energy: -105.663
Base-Backbone interact. energy: -0.350
local terms energy: -95.086399
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -22.858
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -29.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -268.984479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.984479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.984479 (E_RNA)
where:
Base-Base interactions energy: -177.915
where: short stacking energy: -99.012
Base-Backbone interact. energy: -0.127
local terms energy: -90.942466
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -26.151
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: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -241.011293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.011293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.011293 (E_RNA)
where:
Base-Base interactions energy: -138.510
where: short stacking energy: -80.706
Base-Backbone interact. energy: -0.212
local terms energy: -102.288777
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -21.354
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -234.715272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.715272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.715272 (E_RNA)
where:
Base-Base interactions energy: -142.301
where: short stacking energy: -74.159
Base-Backbone interact. energy: 1.330
local terms energy: -93.744163
where:
bonds (distance) C4'-P energy: -23.780
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -18.570
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -239.810044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.810044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.810044 (E_RNA)
where:
Base-Base interactions energy: -137.026
where: short stacking energy: -66.624
Base-Backbone interact. energy: -0.013
local terms energy: -102.771119
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -130.400519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.400519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.400519 (E_RNA)
where:
Base-Base interactions energy: -53.770
where: short stacking energy: -54.370
Base-Backbone interact. energy: -0.187
local terms energy: -76.443440
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -7.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -109.990127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.990127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.990127 (E_RNA)
where:
Base-Base interactions energy: -51.800
where: short stacking energy: -32.931
Base-Backbone interact. energy: 2.215
local terms energy: -60.404916
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: 0.719
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: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -122.065149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.065149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.065149 (E_RNA)
where:
Base-Base interactions energy: -44.404
where: short stacking energy: -43.318
Base-Backbone interact. energy: -0.086
local terms energy: -77.574321
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -108.358694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.358694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.358694 (E_RNA)
where:
Base-Base interactions energy: -35.192
where: short stacking energy: -21.068
Base-Backbone interact. energy: -0.113
local terms energy: -73.052760
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -18.209
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -312.008563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.008563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.008563 (E_RNA)
where:
Base-Base interactions energy: -198.468
where: short stacking energy: -105.295
Base-Backbone interact. energy: -1.347
local terms energy: -112.193181
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -28.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -310.417395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.417395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.417395 (E_RNA)
where:
Base-Base interactions energy: -200.100
where: short stacking energy: -100.255
Base-Backbone interact. energy: -0.063
local terms energy: -110.254916
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: -26.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -274.144513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.144513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.144513 (E_RNA)
where:
Base-Base interactions energy: -172.584
where: short stacking energy: -81.776
Base-Backbone interact. energy: -0.035
local terms energy: -101.525256
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -26.530
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: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -246.862599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.862599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.862599 (E_RNA)
where:
Base-Base interactions energy: -145.648
where: short stacking energy: -75.013
Base-Backbone interact. energy: -0.847
local terms energy: -100.367340
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -23.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -243.250517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.250517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.250517 (E_RNA)
where:
Base-Base interactions energy: -150.594
where: short stacking energy: -81.873
Base-Backbone interact. energy: -0.276
local terms energy: -92.381113
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -247.358496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.358496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.358496 (E_RNA)
where:
Base-Base interactions energy: -149.657
where: short stacking energy: -67.770
Base-Backbone interact. energy: -0.615
local terms energy: -97.086514
where:
bonds (distance) C4'-P energy: -22.940
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -20.239
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -19.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -141.697106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.697106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.697106 (E_RNA)
where:
Base-Base interactions energy: -46.755
where: short stacking energy: -42.715
Base-Backbone interact. energy: -0.182
local terms energy: -94.760949
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -24.021
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -15.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -119.950105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.950105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.950105 (E_RNA)
where:
Base-Base interactions energy: -50.259
where: short stacking energy: -47.861
Base-Backbone interact. energy: 2.108
local terms energy: -71.798196
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -3.856
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: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -108.316401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.316401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.316401 (E_RNA)
where:
Base-Base interactions energy: -41.479
where: short stacking energy: -43.679
Base-Backbone interact. energy: -0.896
local terms energy: -65.941362
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -3.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -101.205926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.205926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.205926 (E_RNA)
where:
Base-Base interactions energy: -32.284
where: short stacking energy: -29.869
Base-Backbone interact. energy: -0.810
local terms energy: -68.112005
where:
bonds (distance) C4'-P energy: -21.147
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -324.248933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.248933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.248933 (E_RNA)
where:
Base-Base interactions energy: -206.639
where: short stacking energy: -108.274
Base-Backbone interact. energy: -1.566
local terms energy: -116.044390
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -35.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -310.057956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.057956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.057956 (E_RNA)
where:
Base-Base interactions energy: -201.473
where: short stacking energy: -104.049
Base-Backbone interact. energy: -0.093
local terms energy: -108.491567
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -16.073
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: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -261.886621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.886621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.886621 (E_RNA)
where:
Base-Base interactions energy: -167.897
where: short stacking energy: -77.693
Base-Backbone interact. energy: 0.427
local terms energy: -94.417113
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -23.218
flat angles C4'-P-C4' energy: -23.479
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -250.949391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.949391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.949391 (E_RNA)
where:
Base-Base interactions energy: -149.401
where: short stacking energy: -76.708
Base-Backbone interact. energy: -0.328
local terms energy: -101.220432
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -20.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -247.987935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.987935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.987935 (E_RNA)
where:
Base-Base interactions energy: -153.060
where: short stacking energy: -77.690
Base-Backbone interact. energy: -0.149
local terms energy: -94.778374
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -21.348
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -17.790
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: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -253.087059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.087059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.087059 (E_RNA)
where:
Base-Base interactions energy: -157.279
where: short stacking energy: -79.926
Base-Backbone interact. energy: -0.074
local terms energy: -95.734495
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -11.923
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: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -116.127475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.127475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.127475 (E_RNA)
where:
Base-Base interactions energy: -41.170
where: short stacking energy: -40.359
Base-Backbone interact. energy: -0.182
local terms energy: -74.775773
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -7.948
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: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -117.384366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.384366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.384366 (E_RNA)
where:
Base-Base interactions energy: -39.318
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.043
local terms energy: -78.023282
where:
bonds (distance) C4'-P energy: -20.435
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -111.957173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.957173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.957173 (E_RNA)
where:
Base-Base interactions energy: -33.551
where: short stacking energy: -26.742
Base-Backbone interact. energy: -0.762
local terms energy: -77.644384
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -96.818201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.818201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.818201 (E_RNA)
where:
Base-Base interactions energy: -30.896
where: short stacking energy: -30.896
Base-Backbone interact. energy: -0.275
local terms energy: -65.647206
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -24.969
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -323.119075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.119075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.119075 (E_RNA)
where:
Base-Base interactions energy: -207.454
where: short stacking energy: -108.479
Base-Backbone interact. energy: -1.051
local terms energy: -114.614461
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -26.127
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -32.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -317.917040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.917040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.917040 (E_RNA)
where:
Base-Base interactions energy: -203.412
where: short stacking energy: -105.130
Base-Backbone interact. energy: 3.339
local terms energy: -117.843413
where:
bonds (distance) C4'-P energy: -24.434
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -23.708
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -32.852
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: 10
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -277.950112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.950112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.950112 (E_RNA)
where:
Base-Base interactions energy: -171.678
where: short stacking energy: -99.187
Base-Backbone interact. energy: -0.105
local terms energy: -106.167106
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -27.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -266.142519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.142519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.142519 (E_RNA)
where:
Base-Base interactions energy: -161.564
where: short stacking energy: -90.838
Base-Backbone interact. energy: -0.262
local terms energy: -104.317068
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -25.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -264.524718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.524718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.524718 (E_RNA)
where:
Base-Base interactions energy: -161.987
where: short stacking energy: -85.489
Base-Backbone interact. energy: 0.804
local terms energy: -103.341666
where:
bonds (distance) C4'-P energy: -24.906
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -25.495
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: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -241.572373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.572373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.572373 (E_RNA)
where:
Base-Base interactions energy: -140.147
where: short stacking energy: -72.027
Base-Backbone interact. energy: -0.214
local terms energy: -101.211281
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -23.431
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -21.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -128.770691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.770691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.770691 (E_RNA)
where:
Base-Base interactions energy: -57.077
where: short stacking energy: -53.171
Base-Backbone interact. energy: -0.198
local terms energy: -71.495664
where:
bonds (distance) C4'-P energy: -21.590
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -8.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -110.196193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.196193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.196193 (E_RNA)
where:
Base-Base interactions energy: -44.484
where: short stacking energy: -44.484
Base-Backbone interact. energy: -0.143
local terms energy: -65.569592
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -121.238792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.238792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.238792 (E_RNA)
where:
Base-Base interactions energy: -58.389
where: short stacking energy: -38.585
Base-Backbone interact. energy: -0.198
local terms energy: -62.651613
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -94.372549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.372549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.372549 (E_RNA)
where:
Base-Base interactions energy: -33.457
where: short stacking energy: -33.457
Base-Backbone interact. energy: -0.182
local terms energy: -60.732979
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -322.354152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.354152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.354152 (E_RNA)
where:
Base-Base interactions energy: -207.281
where: short stacking energy: -105.588
Base-Backbone interact. energy: -0.572
local terms energy: -114.501760
where:
bonds (distance) C4'-P energy: -21.202
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -27.551
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -27.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -315.850105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.850105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.850105 (E_RNA)
where:
Base-Base interactions energy: -210.962
where: short stacking energy: -101.628
Base-Backbone interact. energy: 1.055
local terms energy: -105.943158
where:
bonds (distance) C4'-P energy: -22.009
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -30.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -250.976493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.976493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.976493 (E_RNA)
where:
Base-Base interactions energy: -145.801
where: short stacking energy: -82.349
Base-Backbone interact. energy: -0.233
local terms energy: -104.941965
where:
bonds (distance) C4'-P energy: -22.866
bonds (distance) P-C4' energy: -20.733
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -25.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -251.025598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.025598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.025598 (E_RNA)
where:
Base-Base interactions energy: -153.985
where: short stacking energy: -83.787
Base-Backbone interact. energy: -0.184
local terms energy: -96.856094
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -21.354
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -21.227
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: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -249.502443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.502443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.502443 (E_RNA)
where:
Base-Base interactions energy: -150.230
where: short stacking energy: -83.208
Base-Backbone interact. energy: -0.022
local terms energy: -99.250855
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -25.631
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -246.018642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.018642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.018642 (E_RNA)
where:
Base-Base interactions energy: -149.250
where: short stacking energy: -81.830
Base-Backbone interact. energy: -0.015
local terms energy: -96.754381
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -22.007
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: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -124.178874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.178874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.178874 (E_RNA)
where:
Base-Base interactions energy: -50.392
where: short stacking energy: -37.931
Base-Backbone interact. energy: 0.432
local terms energy: -74.218954
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -15.851
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: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -132.594415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.594415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.594415 (E_RNA)
where:
Base-Base interactions energy: -54.536
where: short stacking energy: -54.536
Base-Backbone interact. energy: 0.181
local terms energy: -78.238804
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -27.299
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -6.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -104.380604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.380604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.380604 (E_RNA)
where:
Base-Base interactions energy: -37.743
where: short stacking energy: -35.448
Base-Backbone interact. energy: -0.733
local terms energy: -65.905063
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -99.893072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.893072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.893072 (E_RNA)
where:
Base-Base interactions energy: -36.832
where: short stacking energy: -21.955
Base-Backbone interact. energy: -2.650
local terms energy: -60.411230
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -4.529
tors. eta vs tors. theta energy: 6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -318.843857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.843857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.843857 (E_RNA)
where:
Base-Base interactions energy: -208.136
where: short stacking energy: -100.168
Base-Backbone interact. energy: -0.035
local terms energy: -110.672598
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -26.414
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -28.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -307.429195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.429195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.429195 (E_RNA)
where:
Base-Base interactions energy: -198.714
where: short stacking energy: -95.670
Base-Backbone interact. energy: -0.455
local terms energy: -108.260937
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -29.555
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: 250
Temperature: 1.000000
Total energy: -258.369106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.369106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.369106 (E_RNA)
where:
Base-Base interactions energy: -157.036
where: short stacking energy: -92.615
Base-Backbone interact. energy: -0.166
local terms energy: -101.167164
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -24.125
flat angles P-C4'-P energy: -17.068
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: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -256.089089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.089089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.089089 (E_RNA)
where:
Base-Base interactions energy: -156.701
where: short stacking energy: -89.698
Base-Backbone interact. energy: -0.210
local terms energy: -99.178071
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -24.590
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -24.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -248.814753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.814753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.814753 (E_RNA)
where:
Base-Base interactions energy: -146.385
where: short stacking energy: -83.774
Base-Backbone interact. energy: -0.030
local terms energy: -102.399708
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -24.541
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -21.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -231.070276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.070276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.070276 (E_RNA)
where:
Base-Base interactions energy: -140.956
where: short stacking energy: -73.106
Base-Backbone interact. energy: -0.749
local terms energy: -89.365994
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -18.978
tors. eta vs tors. theta energy: -17.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -150.638581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.638581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.638581 (E_RNA)
where:
Base-Base interactions energy: -76.419
where: short stacking energy: -52.055
Base-Backbone interact. energy: -0.720
local terms energy: -73.499380
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -120.144077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.144077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.144077 (E_RNA)
where:
Base-Base interactions energy: -44.699
where: short stacking energy: -44.699
Base-Backbone interact. energy: -0.181
local terms energy: -75.264081
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -9.495
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: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -118.575582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.575582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.575582 (E_RNA)
where:
Base-Base interactions energy: -37.603
where: short stacking energy: -31.705
Base-Backbone interact. energy: -0.325
local terms energy: -80.648176
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -109.236955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.236955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.236955 (E_RNA)
where:
Base-Base interactions energy: -50.571
where: short stacking energy: -50.571
Base-Backbone interact. energy: -0.508
local terms energy: -58.158362
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -315.125017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.125017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.125017 (E_RNA)
where:
Base-Base interactions energy: -201.502
where: short stacking energy: -106.433
Base-Backbone interact. energy: 0.248
local terms energy: -113.871499
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -28.535
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: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -307.213106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.213106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.213106 (E_RNA)
where:
Base-Base interactions energy: -193.757
where: short stacking energy: -96.721
Base-Backbone interact. energy: -0.192
local terms energy: -113.263970
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -25.319
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -33.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -263.170589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.170589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.170589 (E_RNA)
where:
Base-Base interactions energy: -165.930
where: short stacking energy: -81.842
Base-Backbone interact. energy: 0.291
local terms energy: -97.531442
where:
bonds (distance) C4'-P energy: -22.706
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -250.510604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.510604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.510604 (E_RNA)
where:
Base-Base interactions energy: -149.781
where: short stacking energy: -85.617
Base-Backbone interact. energy: -0.256
local terms energy: -100.473495
where:
bonds (distance) C4'-P energy: -21.421
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -21.890
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: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -233.495096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.495096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.495096 (E_RNA)
where:
Base-Base interactions energy: -136.531
where: short stacking energy: -71.961
Base-Backbone interact. energy: 1.166
local terms energy: -98.129962
where:
bonds (distance) C4'-P energy: -21.898
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -228.564688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.564688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.564688 (E_RNA)
where:
Base-Base interactions energy: -141.695
where: short stacking energy: -72.335
Base-Backbone interact. energy: -0.464
local terms energy: -86.406140
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -23.109
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -15.939
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: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -150.446071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.446071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.446071 (E_RNA)
where:
Base-Base interactions energy: -72.940
where: short stacking energy: -56.122
Base-Backbone interact. energy: -0.336
local terms energy: -77.170131
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -119.448571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.448571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.448571 (E_RNA)
where:
Base-Base interactions energy: -42.369
where: short stacking energy: -41.898
Base-Backbone interact. energy: -0.343
local terms energy: -76.736589
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -11.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -109.207826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.207826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.207826 (E_RNA)
where:
Base-Base interactions energy: -35.464
where: short stacking energy: -30.532
Base-Backbone interact. energy: -0.197
local terms energy: -73.546212
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -116.623942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.623942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.623942 (E_RNA)
where:
Base-Base interactions energy: -40.567
where: short stacking energy: -40.450
Base-Backbone interact. energy: -0.410
local terms energy: -75.646946
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -7.822
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: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -320.612966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.612966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.612966 (E_RNA)
where:
Base-Base interactions energy: -202.587
where: short stacking energy: -104.317
Base-Backbone interact. energy: -0.047
local terms energy: -117.978855
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -23.046
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -28.805
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: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -312.849753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.849753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.849753 (E_RNA)
where:
Base-Base interactions energy: -197.947
where: short stacking energy: -100.562
Base-Backbone interact. energy: -0.423
local terms energy: -114.480322
where:
bonds (distance) C4'-P energy: -23.719
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -22.682
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -31.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -269.806490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.806490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.806490 (E_RNA)
where:
Base-Base interactions energy: -163.323
where: short stacking energy: -83.857
Base-Backbone interact. energy: -0.057
local terms energy: -106.426570
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -25.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -269.372353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.372353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.372353 (E_RNA)
where:
Base-Base interactions energy: -161.295
where: short stacking energy: -84.534
Base-Backbone interact. energy: 0.513
local terms energy: -108.590230
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -27.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -248.640117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.640117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.640117 (E_RNA)
where:
Base-Base interactions energy: -154.870
where: short stacking energy: -85.852
Base-Backbone interact. energy: -0.190
local terms energy: -93.580163
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -24.816
flat angles P-C4'-P energy: -10.049
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: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -210.670567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.670567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.670567 (E_RNA)
where:
Base-Base interactions energy: -120.017
where: short stacking energy: -57.621
Base-Backbone interact. energy: -0.208
local terms energy: -90.445627
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -25.205
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -10.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -129.921403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.921403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.921403 (E_RNA)
where:
Base-Base interactions energy: -51.803
where: short stacking energy: -50.046
Base-Backbone interact. energy: -0.136
local terms energy: -77.982776
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -9.954
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: 8, replica: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -133.275556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.275556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.275556 (E_RNA)
where:
Base-Base interactions energy: -59.968
where: short stacking energy: -34.555
Base-Backbone interact. energy: 0.436
local terms energy: -73.743692
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -24.421
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: 0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -108.529655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.529655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.529655 (E_RNA)
where:
Base-Base interactions energy: -37.400
where: short stacking energy: -37.358
Base-Backbone interact. energy: 1.023
local terms energy: -72.152730
where:
bonds (distance) C4'-P energy: -23.760
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -124.851822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.851822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.851822 (E_RNA)
where:
Base-Base interactions energy: -44.663
where: short stacking energy: -38.425
Base-Backbone interact. energy: 0.468
local terms energy: -80.656124
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -8.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -333.799237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.799237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.799237 (E_RNA)
where:
Base-Base interactions energy: -214.295
where: short stacking energy: -104.983
Base-Backbone interact. energy: -0.128
local terms energy: -119.376990
where:
bonds (distance) C4'-P energy: -20.775
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -26.204
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: -28.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -303.986980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.986980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.986980 (E_RNA)
where:
Base-Base interactions energy: -198.002
where: short stacking energy: -100.280
Base-Backbone interact. energy: -0.173
local terms energy: -105.812794
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -25.807
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -28.221
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: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -287.853348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.853348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.853348 (E_RNA)
where:
Base-Base interactions energy: -183.881
where: short stacking energy: -104.556
Base-Backbone interact. energy: -0.113
local terms energy: -103.858774
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -28.621
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: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -265.764492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.764492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.764492 (E_RNA)
where:
Base-Base interactions energy: -159.233
where: short stacking energy: -89.008
Base-Backbone interact. energy: 2.125
local terms energy: -108.657060
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -24.347
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -24.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -245.994938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.994938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.994938 (E_RNA)
where:
Base-Base interactions energy: -148.416
where: short stacking energy: -79.145
Base-Backbone interact. energy: -0.088
local terms energy: -97.490862
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -23.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -231.884066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.884066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.884066 (E_RNA)
where:
Base-Base interactions energy: -134.928
where: short stacking energy: -77.673
Base-Backbone interact. energy: -0.750
local terms energy: -96.206185
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -25.202
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -20.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -126.688084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.688084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.688084 (E_RNA)
where:
Base-Base interactions energy: -43.161
where: short stacking energy: -42.318
Base-Backbone interact. energy: -0.266
local terms energy: -83.260605
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -109.518892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.518892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.518892 (E_RNA)
where:
Base-Base interactions energy: -48.279
where: short stacking energy: -44.574
Base-Backbone interact. energy: -0.136
local terms energy: -61.104635
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -7.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -119.013374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.013374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.013374 (E_RNA)
where:
Base-Base interactions energy: -45.929
where: short stacking energy: -43.755
Base-Backbone interact. energy: -0.123
local terms energy: -72.961869
where:
bonds (distance) C4'-P energy: -21.852
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -13.800
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: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -113.794814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.794814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.794814 (E_RNA)
where:
Base-Base interactions energy: -42.523
where: short stacking energy: -38.041
Base-Backbone interact. energy: 0.417
local terms energy: -71.688858
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -23.626
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -313.669210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.669210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.669210 (E_RNA)
where:
Base-Base interactions energy: -199.540
where: short stacking energy: -96.094
Base-Backbone interact. energy: -0.700
local terms energy: -113.429374
where:
bonds (distance) C4'-P energy: -24.078
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -26.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -322.769733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.769733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.769733 (E_RNA)
where:
Base-Base interactions energy: -214.056
where: short stacking energy: -106.753
Base-Backbone interact. energy: -0.131
local terms energy: -108.583011
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -23.665
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -29.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -293.811006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.811006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.811006 (E_RNA)
where:
Base-Base interactions energy: -185.194
where: short stacking energy: -106.332
Base-Backbone interact. energy: -0.031
local terms energy: -108.585288
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -32.081
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: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -274.255303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.255303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.255303 (E_RNA)
where:
Base-Base interactions energy: -167.647
where: short stacking energy: -86.863
Base-Backbone interact. energy: -0.264
local terms energy: -106.344493
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -25.612
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -16.396
tors. eta vs tors. theta energy: -23.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -255.578617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.578617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.578617 (E_RNA)
where:
Base-Base interactions energy: -160.896
where: short stacking energy: -91.539
Base-Backbone interact. energy: -0.208
local terms energy: -94.474494
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -18.962
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -20.090
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: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -181.783858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.783858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.783858 (E_RNA)
where:
Base-Base interactions energy: -92.360
where: short stacking energy: -59.615
Base-Backbone interact. energy: -0.477
local terms energy: -88.946708
where:
bonds (distance) C4'-P energy: -22.886
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -10.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -135.868430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.868430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.868430 (E_RNA)
where:
Base-Base interactions energy: -55.188
where: short stacking energy: -55.188
Base-Backbone interact. energy: -0.332
local terms energy: -80.348550
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -11.548
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: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -126.023885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.023885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.023885 (E_RNA)
where:
Base-Base interactions energy: -62.884
where: short stacking energy: -34.354
Base-Backbone interact. energy: -0.294
local terms energy: -62.846275
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -0.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -112.744077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.744077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.744077 (E_RNA)
where:
Base-Base interactions energy: -39.588
where: short stacking energy: -37.772
Base-Backbone interact. energy: -0.159
local terms energy: -72.997633
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -23.838
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: 3.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -116.589496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.589496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.589496 (E_RNA)
where:
Base-Base interactions energy: -41.979
where: short stacking energy: -41.705
Base-Backbone interact. energy: -0.110
local terms energy: -74.500369
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -21.744
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -13.894
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: 1, replica: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -323.338648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.338648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.338648 (E_RNA)
where:
Base-Base interactions energy: -207.087
where: short stacking energy: -104.084
Base-Backbone interact. energy: -1.015
local terms energy: -115.237022
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -25.052
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -31.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -322.021786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.021786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.021786 (E_RNA)
where:
Base-Base interactions energy: -200.134
where: short stacking energy: -105.657
Base-Backbone interact. energy: -0.080
local terms energy: -121.807891
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -31.585
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: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -271.367876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.367876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.367876 (E_RNA)
where:
Base-Base interactions energy: -171.835
where: short stacking energy: -92.027
Base-Backbone interact. energy: -0.174
local terms energy: -99.358994
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -19.630
tors. eta vs tors. theta energy: -23.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -260.966961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.966961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.966961 (E_RNA)
where:
Base-Base interactions energy: -157.512
where: short stacking energy: -90.967
Base-Backbone interact. energy: 0.111
local terms energy: -103.565523
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: -27.845
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: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -263.021130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.021130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.021130 (E_RNA)
where:
Base-Base interactions energy: -165.145
where: short stacking energy: -86.149
Base-Backbone interact. energy: -0.111
local terms energy: -97.765623
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -26.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -197.992721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.992721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.992721 (E_RNA)
where:
Base-Base interactions energy: -109.690
where: short stacking energy: -79.816
Base-Backbone interact. energy: -0.098
local terms energy: -88.204732
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -17.879
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: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -135.307217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.307217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.307217 (E_RNA)
where:
Base-Base interactions energy: -63.263
where: short stacking energy: -40.870
Base-Backbone interact. energy: 0.879
local terms energy: -72.923741
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -10.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -109.439545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.439545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.439545 (E_RNA)
where:
Base-Base interactions energy: -49.853
where: short stacking energy: -41.876
Base-Backbone interact. energy: -0.172
local terms energy: -59.413983
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -4.510
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: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -120.975416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.975416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.975416 (E_RNA)
where:
Base-Base interactions energy: -55.631
where: short stacking energy: -37.455
Base-Backbone interact. energy: -0.363
local terms energy: -64.980754
where:
bonds (distance) C4'-P energy: -21.984
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: 0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -101.804435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.804435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.804435 (E_RNA)
where:
Base-Base interactions energy: -31.064
where: short stacking energy: -26.260
Base-Backbone interact. energy: 0.031
local terms energy: -70.771001
where:
bonds (distance) C4'-P energy: -24.463
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -21.479
flat angles P-C4'-P energy: -8.367
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: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -318.988957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.988957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.988957 (E_RNA)
where:
Base-Base interactions energy: -207.243
where: short stacking energy: -101.142
Base-Backbone interact. energy: -0.241
local terms energy: -111.504771
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -19.860
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -27.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -307.649887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.649887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.649887 (E_RNA)
where:
Base-Base interactions energy: -191.392
where: short stacking energy: -96.995
Base-Backbone interact. energy: 0.902
local terms energy: -117.159696
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -24.758
flat angles C4'-P-C4' energy: -27.686
flat angles P-C4'-P energy: -15.938
tors. eta vs tors. theta energy: -27.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -273.420794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.420794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.420794 (E_RNA)
where:
Base-Base interactions energy: -167.768
where: short stacking energy: -99.368
Base-Backbone interact. energy: -0.091
local terms energy: -105.561295
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -24.309
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -25.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -266.312110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.312110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.312110 (E_RNA)
where:
Base-Base interactions energy: -155.885
where: short stacking energy: -89.186
Base-Backbone interact. energy: -0.749
local terms energy: -109.678292
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -24.930
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -25.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -264.486783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.486783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.486783 (E_RNA)
where:
Base-Base interactions energy: -164.197
where: short stacking energy: -89.423
Base-Backbone interact. energy: -0.196
local terms energy: -100.093650
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -22.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -188.476231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.476231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.476231 (E_RNA)
where:
Base-Base interactions energy: -109.822
where: short stacking energy: -70.348
Base-Backbone interact. energy: -0.092
local terms energy: -78.562101
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -18.966
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: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -183.511525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.511525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.511525 (E_RNA)
where:
Base-Base interactions energy: -101.057
where: short stacking energy: -58.978
Base-Backbone interact. energy: -0.155
local terms energy: -82.298626
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -123.305577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.305577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.305577 (E_RNA)
where:
Base-Base interactions energy: -48.807
where: short stacking energy: -40.190
Base-Backbone interact. energy: -0.723
local terms energy: -73.774956
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -20.190
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -104.522576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.522576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.522576 (E_RNA)
where:
Base-Base interactions energy: -44.736
where: short stacking energy: -30.631
Base-Backbone interact. energy: -0.272
local terms energy: -59.515221
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -22.637
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: 4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -106.927122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.927122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.927122 (E_RNA)
where:
Base-Base interactions energy: -44.675
where: short stacking energy: -29.110
Base-Backbone interact. energy: -0.514
local terms energy: -61.737666
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -3.170
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: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -329.002704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.002704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.002704 (E_RNA)
where:
Base-Base interactions energy: -210.049
where: short stacking energy: -107.977
Base-Backbone interact. energy: -0.982
local terms energy: -117.971255
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -21.074
flat angles C4'-P-C4' energy: -25.111
flat angles P-C4'-P energy: -19.967
tors. eta vs tors. theta energy: -31.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -302.044361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.044361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.044361 (E_RNA)
where:
Base-Base interactions energy: -206.845
where: short stacking energy: -91.738
Base-Backbone interact. energy: -0.053
local terms energy: -95.146078
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -21.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -258.936159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.936159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.936159 (E_RNA)
where:
Base-Base interactions energy: -158.363
where: short stacking energy: -86.212
Base-Backbone interact. energy: -0.031
local terms energy: -100.542073
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -262.249162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.249162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.249162 (E_RNA)
where:
Base-Base interactions energy: -164.219
where: short stacking energy: -80.908
Base-Backbone interact. energy: 0.362
local terms energy: -98.392164
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -19.182
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -24.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -249.766705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.766705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.766705 (E_RNA)
where:
Base-Base interactions energy: -158.393
where: short stacking energy: -91.434
Base-Backbone interact. energy: -0.984
local terms energy: -90.389221
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -17.615
tors. eta vs tors. theta energy: -22.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -222.515314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.515314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.515314 (E_RNA)
where:
Base-Base interactions energy: -137.365
where: short stacking energy: -74.328
Base-Backbone interact. energy: -0.296
local terms energy: -84.853923
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -214.259427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.259427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.259427 (E_RNA)
where:
Base-Base interactions energy: -129.290
where: short stacking energy: -73.838
Base-Backbone interact. energy: -0.110
local terms energy: -84.859422
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -2.518
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: 8, replica: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -131.127048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.127048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.127048 (E_RNA)
where:
Base-Base interactions energy: -63.627
where: short stacking energy: -48.515
Base-Backbone interact. energy: -0.189
local terms energy: -67.311384
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -117.997509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.997509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.997509 (E_RNA)
where:
Base-Base interactions energy: -40.624
where: short stacking energy: -38.125
Base-Backbone interact. energy: -0.089
local terms energy: -77.285109
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -26.038
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -3.402
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: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -103.988436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.988436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.988436 (E_RNA)
where:
Base-Base interactions energy: -40.674
where: short stacking energy: -39.608
Base-Backbone interact. energy: 0.761
local terms energy: -64.075470
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: 0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -308.439815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.439815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.439815 (E_RNA)
where:
Base-Base interactions energy: -199.407
where: short stacking energy: -93.702
Base-Backbone interact. energy: -0.025
local terms energy: -109.007929
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -322.663441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.663441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.663441 (E_RNA)
where:
Base-Base interactions energy: -210.872
where: short stacking energy: -109.199
Base-Backbone interact. energy: -0.181
local terms energy: -111.610359
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -32.013
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: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -255.092363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.092363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.092363 (E_RNA)
where:
Base-Base interactions energy: -163.380
where: short stacking energy: -79.097
Base-Backbone interact. energy: -0.062
local terms energy: -91.650408
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -260.004568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.004568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.004568 (E_RNA)
where:
Base-Base interactions energy: -158.521
where: short stacking energy: -78.967
Base-Backbone interact. energy: -0.000
local terms energy: -101.483249
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -25.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -232.191408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.191408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.191408 (E_RNA)
where:
Base-Base interactions energy: -146.977
where: short stacking energy: -89.463
Base-Backbone interact. energy: 0.057
local terms energy: -85.270931
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -22.178
flat angles P-C4'-P energy: -9.701
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: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -235.977280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.977280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.977280 (E_RNA)
where:
Base-Base interactions energy: -142.903
where: short stacking energy: -64.259
Base-Backbone interact. energy: -0.105
local terms energy: -92.969669
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -22.641
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -236.057253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.057253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.057253 (E_RNA)
where:
Base-Base interactions energy: -145.297
where: short stacking energy: -85.295
Base-Backbone interact. energy: -0.024
local terms energy: -90.736300
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -22.189
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -21.517
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: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -122.741276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.741276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.741276 (E_RNA)
where:
Base-Base interactions energy: -48.216
where: short stacking energy: -48.516
Base-Backbone interact. energy: 0.570
local terms energy: -75.095808
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -10.957
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: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -108.127990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.127990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.127990 (E_RNA)
where:
Base-Base interactions energy: -36.112
where: short stacking energy: -33.236
Base-Backbone interact. energy: -1.261
local terms energy: -70.755526
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -111.061848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.061848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.061848 (E_RNA)
where:
Base-Base interactions energy: -44.642
where: short stacking energy: -39.909
Base-Backbone interact. energy: -0.295
local terms energy: -66.124297
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -4.086
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: 259
Temperature: 0.900000
Total energy: -301.400242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.400242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.400242 (E_RNA)
where:
Base-Base interactions energy: -201.250
where: short stacking energy: -107.957
Base-Backbone interact. energy: 0.744
local terms energy: -100.894055
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -21.689
flat angles C4'-P-C4' energy: -23.015
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -25.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -300.022604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.022604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.022604 (E_RNA)
where:
Base-Base interactions energy: -188.867
where: short stacking energy: -99.913
Base-Backbone interact. energy: 0.523
local terms energy: -111.679169
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -25.121
flat angles P-C4'-P energy: -19.604
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: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -262.349656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.349656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.349656 (E_RNA)
where:
Base-Base interactions energy: -160.229
where: short stacking energy: -92.869
Base-Backbone interact. energy: -0.224
local terms energy: -101.896631
where:
bonds (distance) C4'-P energy: -23.495
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -23.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -247.757722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.757722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.757722 (E_RNA)
where:
Base-Base interactions energy: -148.130
where: short stacking energy: -88.718
Base-Backbone interact. energy: -0.003
local terms energy: -99.624832
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -24.753
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -23.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -258.466118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.466118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.466118 (E_RNA)
where:
Base-Base interactions energy: -170.239
where: short stacking energy: -93.576
Base-Backbone interact. energy: 0.921
local terms energy: -89.147792
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -23.340
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: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -225.961971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.961971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.961971 (E_RNA)
where:
Base-Base interactions energy: -137.102
where: short stacking energy: -83.020
Base-Backbone interact. energy: -0.012
local terms energy: -88.848224
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -24.021
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: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -220.687005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.687005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.687005 (E_RNA)
where:
Base-Base interactions energy: -128.471
where: short stacking energy: -68.388
Base-Backbone interact. energy: -0.546
local terms energy: -91.670482
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -21.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -139.616068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.616068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.616068 (E_RNA)
where:
Base-Base interactions energy: -62.864
where: short stacking energy: -41.549
Base-Backbone interact. energy: -0.333
local terms energy: -76.418972
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -11.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -107.098030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.098030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.098030 (E_RNA)
where:
Base-Base interactions energy: -30.829
where: short stacking energy: -29.163
Base-Backbone interact. energy: -0.176
local terms energy: -76.093376
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -17.053
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: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -110.557283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.557283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.557283 (E_RNA)
where:
Base-Base interactions energy: -43.017
where: short stacking energy: -27.535
Base-Backbone interact. energy: -0.420
local terms energy: -67.120599
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -0.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -323.916837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.916837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.916837 (E_RNA)
where:
Base-Base interactions energy: -211.123
where: short stacking energy: -113.496
Base-Backbone interact. energy: 0.539
local terms energy: -113.332705
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -25.472
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -29.153
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: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -286.706289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.706289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.706289 (E_RNA)
where:
Base-Base interactions energy: -182.776
where: short stacking energy: -97.952
Base-Backbone interact. energy: -0.663
local terms energy: -103.266730
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -27.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -255.306843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.306843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.306843 (E_RNA)
where:
Base-Base interactions energy: -162.221
where: short stacking energy: -94.562
Base-Backbone interact. energy: 0.287
local terms energy: -93.373305
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -25.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -260.121124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.121124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.121124 (E_RNA)
where:
Base-Base interactions energy: -158.153
where: short stacking energy: -79.583
Base-Backbone interact. energy: -0.120
local terms energy: -101.848278
where:
bonds (distance) C4'-P energy: -24.182
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -269.801365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.801365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.801365 (E_RNA)
where:
Base-Base interactions energy: -178.506
where: short stacking energy: -85.709
Base-Backbone interact. energy: -0.174
local terms energy: -91.121884
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -207.724257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.724257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.724257 (E_RNA)
where:
Base-Base interactions energy: -113.749
where: short stacking energy: -58.920
Base-Backbone interact. energy: -0.162
local terms energy: -93.813009
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -15.134
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: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -235.546169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.546169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.546169 (E_RNA)
where:
Base-Base interactions energy: -140.339
where: short stacking energy: -69.505
Base-Backbone interact. energy: -0.868
local terms energy: -94.339123
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -13.420
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: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -145.182568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.182568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.182568 (E_RNA)
where:
Base-Base interactions energy: -68.229
where: short stacking energy: -44.130
Base-Backbone interact. energy: -0.159
local terms energy: -76.795087
where:
bonds (distance) C4'-P energy: -24.102
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -187.565132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.565132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.565132 (E_RNA)
where:
Base-Base interactions energy: -122.066
where: short stacking energy: -55.309
Base-Backbone interact. energy: 2.282
local terms energy: -67.780871
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -113.284578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.284578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.284578 (E_RNA)
where:
Base-Base interactions energy: -45.444
where: short stacking energy: -45.444
Base-Backbone interact. energy: -0.094
local terms energy: -67.745979
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -6.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -332.868431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.868431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.868431 (E_RNA)
where:
Base-Base interactions energy: -209.948
where: short stacking energy: -110.374
Base-Backbone interact. energy: -0.028
local terms energy: -122.892628
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -28.013
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -34.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -306.349364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.349364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.349364 (E_RNA)
where:
Base-Base interactions energy: -200.798
where: short stacking energy: -106.285
Base-Backbone interact. energy: -0.407
local terms energy: -105.143890
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -24.647
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: 3, replica: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -256.989139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.989139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.989139 (E_RNA)
where:
Base-Base interactions energy: -160.879
where: short stacking energy: -90.551
Base-Backbone interact. energy: -0.109
local terms energy: -96.000798
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -21.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -269.403814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.403814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.403814 (E_RNA)
where:
Base-Base interactions energy: -171.102
where: short stacking energy: -91.900
Base-Backbone interact. energy: -0.207
local terms energy: -98.094469
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -22.783
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: 261
Temperature: 1.100000
Total energy: -257.766400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.766400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.766400 (E_RNA)
where:
Base-Base interactions energy: -158.187
where: short stacking energy: -85.956
Base-Backbone interact. energy: -0.129
local terms energy: -99.451018
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -22.402
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -23.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -236.795154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.795154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.795154 (E_RNA)
where:
Base-Base interactions energy: -147.739
where: short stacking energy: -82.519
Base-Backbone interact. energy: -0.031
local terms energy: -89.025676
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -23.698
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: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -225.865979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.865979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.865979 (E_RNA)
where:
Base-Base interactions energy: -133.829
where: short stacking energy: -77.932
Base-Backbone interact. energy: 0.021
local terms energy: -92.058551
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -22.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -173.392821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.392821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.392821 (E_RNA)
where:
Base-Base interactions energy: -106.385
where: short stacking energy: -52.858
Base-Backbone interact. energy: 0.167
local terms energy: -67.174859
where:
bonds (distance) C4'-P energy: -21.899
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -10.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -116.135505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.135505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.135505 (E_RNA)
where:
Base-Base interactions energy: -51.270
where: short stacking energy: -42.723
Base-Backbone interact. energy: -0.230
local terms energy: -64.635841
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -13.506
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: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -113.854514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.854514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.854514 (E_RNA)
where:
Base-Base interactions energy: -38.950
where: short stacking energy: -38.950
Base-Backbone interact. energy: 0.192
local terms energy: -75.095983
where:
bonds (distance) C4'-P energy: -24.173
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -15.508
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: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -308.009113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.009113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.009113 (E_RNA)
where:
Base-Base interactions energy: -197.423
where: short stacking energy: -107.378
Base-Backbone interact. energy: -0.183
local terms energy: -110.403038
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -25.486
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -25.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -315.930671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.930671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.930671 (E_RNA)
where:
Base-Base interactions energy: -199.151
where: short stacking energy: -103.202
Base-Backbone interact. energy: -0.125
local terms energy: -116.654674
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -25.022
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -29.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -249.980988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.980988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.980988 (E_RNA)
where:
Base-Base interactions energy: -148.881
where: short stacking energy: -92.573
Base-Backbone interact. energy: -0.181
local terms energy: -100.919304
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -24.067
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -24.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -257.828215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.828215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.828215 (E_RNA)
where:
Base-Base interactions energy: -155.818
where: short stacking energy: -78.477
Base-Backbone interact. energy: 0.281
local terms energy: -102.291409
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -27.188
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -20.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -250.524835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.524835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.524835 (E_RNA)
where:
Base-Base interactions energy: -154.022
where: short stacking energy: -75.337
Base-Backbone interact. energy: -0.283
local terms energy: -96.219323
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -21.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -264.498850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.498850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.498850 (E_RNA)
where:
Base-Base interactions energy: -162.045
where: short stacking energy: -93.492
Base-Backbone interact. energy: -0.008
local terms energy: -102.445925
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -30.666
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: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -186.589900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.589900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.589900 (E_RNA)
where:
Base-Base interactions energy: -99.225
where: short stacking energy: -54.421
Base-Backbone interact. energy: -0.192
local terms energy: -87.172916
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -12.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -192.014698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.014698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.014698 (E_RNA)
where:
Base-Base interactions energy: -119.012
where: short stacking energy: -60.808
Base-Backbone interact. energy: 0.169
local terms energy: -73.171380
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -122.102418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.102418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.102418 (E_RNA)
where:
Base-Base interactions energy: -60.993
where: short stacking energy: -38.385
Base-Backbone interact. energy: -0.243
local terms energy: -60.866002
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -18.739
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: 3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -98.132207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.132207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.132207 (E_RNA)
where:
Base-Base interactions energy: -25.301
where: short stacking energy: -25.301
Base-Backbone interact. energy: -0.409
local terms energy: -72.422365
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -303.254163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.254163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.254163 (E_RNA)
where:
Base-Base interactions energy: -190.012
where: short stacking energy: -96.361
Base-Backbone interact. energy: 0.781
local terms energy: -114.023036
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -23.081
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -26.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -306.248162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.248162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.248162 (E_RNA)
where:
Base-Base interactions energy: -195.143
where: short stacking energy: -101.411
Base-Backbone interact. energy: -0.227
local terms energy: -110.878640
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -20.083
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -29.536
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: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -246.220303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.220303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.220303 (E_RNA)
where:
Base-Base interactions energy: -144.985
where: short stacking energy: -93.735
Base-Backbone interact. energy: -0.099
local terms energy: -101.135663
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -9.171
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: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -274.945928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.945928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.945928 (E_RNA)
where:
Base-Base interactions energy: -173.043
where: short stacking energy: -94.346
Base-Backbone interact. energy: 0.090
local terms energy: -101.993025
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -26.397
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: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -258.623476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.623476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.623476 (E_RNA)
where:
Base-Base interactions energy: -149.475
where: short stacking energy: -80.282
Base-Backbone interact. energy: -0.019
local terms energy: -109.129534
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -26.142
flat angles C4'-P-C4' energy: -25.277
flat angles P-C4'-P energy: -12.274
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: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -255.989719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.989719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.989719 (E_RNA)
where:
Base-Base interactions energy: -154.910
where: short stacking energy: -82.550
Base-Backbone interact. energy: -0.218
local terms energy: -100.861066
where:
bonds (distance) C4'-P energy: -25.039
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -26.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -201.379001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.379001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.379001 (E_RNA)
where:
Base-Base interactions energy: -122.614
where: short stacking energy: -51.033
Base-Backbone interact. energy: -0.313
local terms energy: -78.452616
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -16.006
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: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -210.814184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.814184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.814184 (E_RNA)
where:
Base-Base interactions energy: -123.541
where: short stacking energy: -56.203
Base-Backbone interact. energy: -0.845
local terms energy: -86.428824
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -11.851
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: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -113.517513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.517513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.517513 (E_RNA)
where:
Base-Base interactions energy: -44.578
where: short stacking energy: -24.136
Base-Backbone interact. energy: -0.242
local terms energy: -68.698341
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: 1.830
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: 263
Temperature: 1.350000
Total energy: -105.132831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.132831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.132831 (E_RNA)
where:
Base-Base interactions energy: -40.014
where: short stacking energy: -26.276
Base-Backbone interact. energy: -0.362
local terms energy: -64.757559
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -325.715153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.715153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.715153 (E_RNA)
where:
Base-Base interactions energy: -204.696
where: short stacking energy: -104.912
Base-Backbone interact. energy: 0.084
local terms energy: -121.103106
where:
bonds (distance) C4'-P energy: -23.238
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -32.956
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: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -292.122648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.122648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.122648 (E_RNA)
where:
Base-Base interactions energy: -181.974
where: short stacking energy: -112.727
Base-Backbone interact. energy: -0.484
local terms energy: -109.664683
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -29.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -272.071958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.071958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.071958 (E_RNA)
where:
Base-Base interactions energy: -169.967
where: short stacking energy: -95.585
Base-Backbone interact. energy: -0.030
local terms energy: -102.075284
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -17.447
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: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -237.927666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.927666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.927666 (E_RNA)
where:
Base-Base interactions energy: -139.531
where: short stacking energy: -78.076
Base-Backbone interact. energy: 0.632
local terms energy: -99.028123
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -22.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -270.111033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.111033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.111033 (E_RNA)
where:
Base-Base interactions energy: -168.902
where: short stacking energy: -99.651
Base-Backbone interact. energy: -0.780
local terms energy: -100.429436
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -26.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -245.807629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.807629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.807629 (E_RNA)
where:
Base-Base interactions energy: -147.494
where: short stacking energy: -78.954
Base-Backbone interact. energy: -0.238
local terms energy: -98.075309
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -26.085
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -24.454
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: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -223.378202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.378202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.378202 (E_RNA)
where:
Base-Base interactions energy: -137.239
where: short stacking energy: -69.709
Base-Backbone interact. energy: -0.186
local terms energy: -85.952371
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -208.110932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.110932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.110932 (E_RNA)
where:
Base-Base interactions energy: -125.352
where: short stacking energy: -65.606
Base-Backbone interact. energy: 0.593
local terms energy: -83.352499
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -123.392826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.392826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.392826 (E_RNA)
where:
Base-Base interactions energy: -58.622
where: short stacking energy: -28.782
Base-Backbone interact. energy: -0.156
local terms energy: -64.614894
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: 5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -112.988880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.988880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.988880 (E_RNA)
where:
Base-Base interactions energy: -39.776
where: short stacking energy: -39.166
Base-Backbone interact. energy: 0.778
local terms energy: -73.990203
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -22.484
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -320.679142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.679142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.679142 (E_RNA)
where:
Base-Base interactions energy: -204.850
where: short stacking energy: -103.629
Base-Backbone interact. energy: -0.023
local terms energy: -115.806495
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -27.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -290.645089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.645089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.645089 (E_RNA)
where:
Base-Base interactions energy: -174.817
where: short stacking energy: -102.129
Base-Backbone interact. energy: -0.080
local terms energy: -115.748287
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -26.137
flat angles P-C4'-P energy: -18.353
tors. eta vs tors. theta energy: -29.346
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: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -289.758083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.758083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.758083 (E_RNA)
where:
Base-Base interactions energy: -178.308
where: short stacking energy: -89.027
Base-Backbone interact. energy: 0.090
local terms energy: -111.540385
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -22.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -261.555426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.555426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.555426 (E_RNA)
where:
Base-Base interactions energy: -172.209
where: short stacking energy: -96.970
Base-Backbone interact. energy: -0.189
local terms energy: -89.157261
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -22.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -242.025053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.025053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.025053 (E_RNA)
where:
Base-Base interactions energy: -146.212
where: short stacking energy: -82.038
Base-Backbone interact. energy: -0.010
local terms energy: -95.803121
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -24.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -248.903781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.903781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.903781 (E_RNA)
where:
Base-Base interactions energy: -160.956
where: short stacking energy: -81.579
Base-Backbone interact. energy: -0.137
local terms energy: -87.810416
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -23.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -236.688818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.688818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.688818 (E_RNA)
where:
Base-Base interactions energy: -145.357
where: short stacking energy: -73.371
Base-Backbone interact. energy: -0.240
local terms energy: -91.092014
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -17.259
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: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -173.479252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.479252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.479252 (E_RNA)
where:
Base-Base interactions energy: -106.783
where: short stacking energy: -53.355
Base-Backbone interact. energy: -0.227
local terms energy: -66.468510
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -119.387000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.387000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.387000 (E_RNA)
where:
Base-Base interactions energy: -42.226
where: short stacking energy: -42.143
Base-Backbone interact. energy: -0.347
local terms energy: -76.813845
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -23.397
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -104.520664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.520664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.520664 (E_RNA)
where:
Base-Base interactions energy: -45.160
where: short stacking energy: -45.160
Base-Backbone interact. energy: -0.311
local terms energy: -59.049532
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -295.634796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.634796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.634796 (E_RNA)
where:
Base-Base interactions energy: -174.505
where: short stacking energy: -104.374
Base-Backbone interact. energy: -0.434
local terms energy: -120.695803
where:
bonds (distance) C4'-P energy: -24.144
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -29.561
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: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -322.961293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.961293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.961293 (E_RNA)
where:
Base-Base interactions energy: -207.274
where: short stacking energy: -104.330
Base-Backbone interact. energy: -0.181
local terms energy: -115.506811
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -26.076
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -19.461
tors. eta vs tors. theta energy: -28.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -295.221766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.221766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.221766 (E_RNA)
where:
Base-Base interactions energy: -192.770
where: short stacking energy: -96.236
Base-Backbone interact. energy: -0.221
local terms energy: -102.230691
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -30.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -258.534786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.534786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.534786 (E_RNA)
where:
Base-Base interactions energy: -161.843
where: short stacking energy: -86.891
Base-Backbone interact. energy: -0.246
local terms energy: -96.445363
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -245.137178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.137178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.137178 (E_RNA)
where:
Base-Base interactions energy: -149.273
where: short stacking energy: -74.869
Base-Backbone interact. energy: -0.193
local terms energy: -95.671616
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -19.700
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: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -223.591947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.591947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.591947 (E_RNA)
where:
Base-Base interactions energy: -133.097
where: short stacking energy: -77.040
Base-Backbone interact. energy: -0.068
local terms energy: -90.427206
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -20.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -227.164526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.164526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.164526 (E_RNA)
where:
Base-Base interactions energy: -132.296
where: short stacking energy: -66.592
Base-Backbone interact. energy: -1.060
local terms energy: -93.808780
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -23.532
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -12.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -161.449518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.449518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.449518 (E_RNA)
where:
Base-Base interactions energy: -78.177
where: short stacking energy: -53.850
Base-Backbone interact. energy: -0.141
local terms energy: -83.131515
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -124.048233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.048233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.048233 (E_RNA)
where:
Base-Base interactions energy: -49.560
where: short stacking energy: -38.623
Base-Backbone interact. energy: -0.703
local terms energy: -73.785119
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -102.743669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.743669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.743669 (E_RNA)
where:
Base-Base interactions energy: -27.066
where: short stacking energy: -27.066
Base-Backbone interact. energy: -0.067
local terms energy: -75.610341
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -6.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -300.103993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.103993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.103993 (E_RNA)
where:
Base-Base interactions energy: -183.513
where: short stacking energy: -102.977
Base-Backbone interact. energy: -0.093
local terms energy: -116.498195
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -24.720
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -31.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -319.908602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.908602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.908602 (E_RNA)
where:
Base-Base interactions energy: -206.909
where: short stacking energy: -106.025
Base-Backbone interact. energy: -0.061
local terms energy: -112.937855
where:
bonds (distance) C4'-P energy: -24.132
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -30.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -281.652349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.652349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.652349 (E_RNA)
where:
Base-Base interactions energy: -184.027
where: short stacking energy: -93.953
Base-Backbone interact. energy: -0.430
local terms energy: -97.195336
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -20.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -247.286594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.286594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.286594 (E_RNA)
where:
Base-Base interactions energy: -155.006
where: short stacking energy: -75.715
Base-Backbone interact. energy: -0.138
local terms energy: -92.142258
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -246.272252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.272252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.272252 (E_RNA)
where:
Base-Base interactions energy: -147.762
where: short stacking energy: -77.986
Base-Backbone interact. energy: -0.214
local terms energy: -98.295817
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -23.768
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: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -240.455886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.455886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.455886 (E_RNA)
where:
Base-Base interactions energy: -149.000
where: short stacking energy: -78.050
Base-Backbone interact. energy: -0.191
local terms energy: -91.264825
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -184.468741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.468741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.468741 (E_RNA)
where:
Base-Base interactions energy: -96.697
where: short stacking energy: -57.158
Base-Backbone interact. energy: -0.652
local terms energy: -87.119612
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -8.456
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: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -170.026974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.026974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.026974 (E_RNA)
where:
Base-Base interactions energy: -89.516
where: short stacking energy: -64.762
Base-Backbone interact. energy: 0.751
local terms energy: -81.262308
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -113.941921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.941921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.941921 (E_RNA)
where:
Base-Base interactions energy: -43.836
where: short stacking energy: -36.517
Base-Backbone interact. energy: -0.640
local terms energy: -69.465483
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -7.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -107.251955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.251955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.251955 (E_RNA)
where:
Base-Base interactions energy: -40.922
where: short stacking energy: -35.121
Base-Backbone interact. energy: -0.083
local terms energy: -66.246711
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -4.476
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -325.851482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.851482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.851482 (E_RNA)
where:
Base-Base interactions energy: -210.903
where: short stacking energy: -109.717
Base-Backbone interact. energy: -0.054
local terms energy: -114.893669
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -20.607
flat angles C4'-P-C4' energy: -24.484
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -33.113
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: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -286.777015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.777015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.777015 (E_RNA)
where:
Base-Base interactions energy: -179.545
where: short stacking energy: -95.769
Base-Backbone interact. energy: -0.053
local terms energy: -107.179661
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -31.545
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: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -265.716159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.716159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.716159 (E_RNA)
where:
Base-Base interactions energy: -161.908
where: short stacking energy: -92.826
Base-Backbone interact. energy: -0.255
local terms energy: -103.552639
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -23.370
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -17.276
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -276.832942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.832942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.832942 (E_RNA)
where:
Base-Base interactions energy: -169.677
where: short stacking energy: -92.107
Base-Backbone interact. energy: -0.279
local terms energy: -106.877769
where:
bonds (distance) C4'-P energy: -24.476
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -25.267
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: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -265.348634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.348634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.348634 (E_RNA)
where:
Base-Base interactions energy: -157.203
where: short stacking energy: -85.602
Base-Backbone interact. energy: -0.193
local terms energy: -107.952729
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -22.300
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -230.565753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.565753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.565753 (E_RNA)
where:
Base-Base interactions energy: -143.699
where: short stacking energy: -69.971
Base-Backbone interact. energy: -0.096
local terms energy: -86.770816
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -222.654348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.654348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.654348 (E_RNA)
where:
Base-Base interactions energy: -123.991
where: short stacking energy: -80.153
Base-Backbone interact. energy: -0.062
local terms energy: -98.601345
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -169.719527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.719527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.719527 (E_RNA)
where:
Base-Base interactions energy: -88.916
where: short stacking energy: -47.135
Base-Backbone interact. energy: 0.685
local terms energy: -81.489303
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -113.744262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.744262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.744262 (E_RNA)
where:
Base-Base interactions energy: -42.662
where: short stacking energy: -39.671
Base-Backbone interact. energy: -0.787
local terms energy: -70.294968
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -4.819
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: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -113.875941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.875941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.875941 (E_RNA)
where:
Base-Base interactions energy: -30.740
where: short stacking energy: -31.307
Base-Backbone interact. energy: -0.355
local terms energy: -82.780614
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -8.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -327.955486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.955486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.955486 (E_RNA)
where:
Base-Base interactions energy: -213.196
where: short stacking energy: -102.210
Base-Backbone interact. energy: -0.219
local terms energy: -114.539972
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -30.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -283.623052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.623052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.623052 (E_RNA)
where:
Base-Base interactions energy: -175.596
where: short stacking energy: -97.299
Base-Backbone interact. energy: 1.312
local terms energy: -109.338799
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -22.399
flat angles P-C4'-P energy: -13.262
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: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -270.464347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.464347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.464347 (E_RNA)
where:
Base-Base interactions energy: -158.732
where: short stacking energy: -85.646
Base-Backbone interact. energy: -0.226
local terms energy: -111.506878
where:
bonds (distance) C4'-P energy: -25.596
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -26.566
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: 4, replica: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -260.699788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.699788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.699788 (E_RNA)
where:
Base-Base interactions energy: -162.123
where: short stacking energy: -80.796
Base-Backbone interact. energy: -0.601
local terms energy: -97.975949
where:
bonds (distance) C4'-P energy: -21.723
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -24.851
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: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -264.994788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.994788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.994788 (E_RNA)
where:
Base-Base interactions energy: -161.740
where: short stacking energy: -84.880
Base-Backbone interact. energy: -0.004
local terms energy: -103.250761
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -28.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -242.757384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.757384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.757384 (E_RNA)
where:
Base-Base interactions energy: -135.505
where: short stacking energy: -81.845
Base-Backbone interact. energy: -0.049
local terms energy: -107.203746
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -24.778
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: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -222.693850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.693850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.693850 (E_RNA)
where:
Base-Base interactions energy: -136.321
where: short stacking energy: -66.145
Base-Backbone interact. energy: -0.162
local terms energy: -86.210646
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -5.896
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: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -120.694329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.694329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.694329 (E_RNA)
where:
Base-Base interactions energy: -40.988
where: short stacking energy: -40.887
Base-Backbone interact. energy: -0.766
local terms energy: -78.940478
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -22.756
flat angles P-C4'-P energy: -5.848
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: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -174.918842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.918842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.918842 (E_RNA)
where:
Base-Base interactions energy: -90.565
where: short stacking energy: -38.091
Base-Backbone interact. energy: -0.272
local terms energy: -84.081728
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -24.217
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -100.677805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.677805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.677805 (E_RNA)
where:
Base-Base interactions energy: -44.086
where: short stacking energy: -35.347
Base-Backbone interact. energy: -0.208
local terms energy: -56.384446
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: 0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -330.359737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.359737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.359737 (E_RNA)
where:
Base-Base interactions energy: -211.776
where: short stacking energy: -106.352
Base-Backbone interact. energy: 0.726
local terms energy: -119.309741
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -34.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -275.370595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.370595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.370595 (E_RNA)
where:
Base-Base interactions energy: -165.817
where: short stacking energy: -99.932
Base-Backbone interact. energy: -0.100
local terms energy: -109.453887
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -28.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -291.237163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.237163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.237163 (E_RNA)
where:
Base-Base interactions energy: -186.781
where: short stacking energy: -98.470
Base-Backbone interact. energy: -0.393
local terms energy: -104.063015
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -25.034
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -26.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -252.723227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.723227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.723227 (E_RNA)
where:
Base-Base interactions energy: -147.529
where: short stacking energy: -77.918
Base-Backbone interact. energy: -0.127
local terms energy: -105.067210
where:
bonds (distance) C4'-P energy: -24.352
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -20.633
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -20.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -244.242471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.242471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.242471 (E_RNA)
where:
Base-Base interactions energy: -145.697
where: short stacking energy: -80.046
Base-Backbone interact. energy: -0.055
local terms energy: -98.490686
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -24.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -234.066102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.066102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.066102 (E_RNA)
where:
Base-Base interactions energy: -140.720
where: short stacking energy: -72.098
Base-Backbone interact. energy: -0.170
local terms energy: -93.175741
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -217.100881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.100881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.100881 (E_RNA)
where:
Base-Base interactions energy: -133.654
where: short stacking energy: -61.946
Base-Backbone interact. energy: -0.806
local terms energy: -82.640601
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -9.361
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: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -136.771841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.771841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.771841 (E_RNA)
where:
Base-Base interactions energy: -62.989
where: short stacking energy: -50.981
Base-Backbone interact. energy: -0.464
local terms energy: -73.319412
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -126.533151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.533151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.533151 (E_RNA)
where:
Base-Base interactions energy: -75.144
where: short stacking energy: -37.743
Base-Backbone interact. energy: -1.075
local terms energy: -50.313729
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -6.834
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: 1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -104.109632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.109632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.109632 (E_RNA)
where:
Base-Base interactions energy: -38.803
where: short stacking energy: -37.610
Base-Backbone interact. energy: 0.444
local terms energy: -65.750198
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -8.219
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: 0.164
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: 271
Temperature: 0.900000
Total energy: -329.214794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.214794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.214794 (E_RNA)
where:
Base-Base interactions energy: -211.006
where: short stacking energy: -115.502
Base-Backbone interact. energy: -0.038
local terms energy: -118.171526
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -26.797
flat angles P-C4'-P energy: -19.216
tors. eta vs tors. theta energy: -32.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -297.265762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.265762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.265762 (E_RNA)
where:
Base-Base interactions energy: -183.089
where: short stacking energy: -100.976
Base-Backbone interact. energy: -0.107
local terms energy: -114.069326
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -23.206
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -31.502
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: 271
Temperature: 1.000000
Total energy: -277.122552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.122552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.122552 (E_RNA)
where:
Base-Base interactions energy: -179.898
where: short stacking energy: -90.975
Base-Backbone interact. energy: -0.417
local terms energy: -96.806746
where:
bonds (distance) C4'-P energy: -17.928
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -24.155
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -240.481789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.481789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.481789 (E_RNA)
where:
Base-Base interactions energy: -143.855
where: short stacking energy: -86.010
Base-Backbone interact. energy: -0.066
local terms energy: -96.561150
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -17.511
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: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -262.247404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.247404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.247404 (E_RNA)
where:
Base-Base interactions energy: -151.435
where: short stacking energy: -78.292
Base-Backbone interact. energy: -0.152
local terms energy: -110.660059
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -26.917
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -244.300749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.300749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.300749 (E_RNA)
where:
Base-Base interactions energy: -156.507
where: short stacking energy: -72.248
Base-Backbone interact. energy: -0.145
local terms energy: -87.648861
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -18.093
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -239.844823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.844823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.844823 (E_RNA)
where:
Base-Base interactions energy: -142.216
where: short stacking energy: -75.389
Base-Backbone interact. energy: -0.060
local terms energy: -97.568633
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -21.495
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: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -111.967692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.967692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.967692 (E_RNA)
where:
Base-Base interactions energy: -49.305
where: short stacking energy: -42.369
Base-Backbone interact. energy: -0.478
local terms energy: -62.184050
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -17.677
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: 3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -116.079987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.079987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.079987 (E_RNA)
where:
Base-Base interactions energy: -46.214
where: short stacking energy: -38.137
Base-Backbone interact. energy: -0.434
local terms energy: -69.432107
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -23.699
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -112.605303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.605303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.605303 (E_RNA)
where:
Base-Base interactions energy: -38.752
where: short stacking energy: -36.021
Base-Backbone interact. energy: 3.394
local terms energy: -77.246977
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -22.798
flat angles P-C4'-P energy: -12.427
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: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -325.337907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.337907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.337907 (E_RNA)
where:
Base-Base interactions energy: -206.973
where: short stacking energy: -104.927
Base-Backbone interact. energy: -0.079
local terms energy: -118.286108
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -20.786
flat angles C4'-P-C4' energy: -21.969
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -34.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -288.220474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.220474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.220474 (E_RNA)
where:
Base-Base interactions energy: -176.294
where: short stacking energy: -101.608
Base-Backbone interact. energy: -0.891
local terms energy: -111.036176
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -19.087
tors. eta vs tors. theta energy: -28.387
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: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -287.564999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.564999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.564999 (E_RNA)
where:
Base-Base interactions energy: -182.499
where: short stacking energy: -93.437
Base-Backbone interact. energy: 0.123
local terms energy: -105.188476
where:
bonds (distance) C4'-P energy: -22.075
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -253.646678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.646678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.646678 (E_RNA)
where:
Base-Base interactions energy: -155.605
where: short stacking energy: -87.404
Base-Backbone interact. energy: -0.010
local terms energy: -98.031887
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -26.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -251.951476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.951476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.951476 (E_RNA)
where:
Base-Base interactions energy: -153.865
where: short stacking energy: -88.552
Base-Backbone interact. energy: -0.095
local terms energy: -97.991684
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -24.559
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: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -234.770545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.770545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.770545 (E_RNA)
where:
Base-Base interactions energy: -147.059
where: short stacking energy: -80.113
Base-Backbone interact. energy: -0.024
local terms energy: -87.686907
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -19.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -232.209810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.209810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.209810 (E_RNA)
where:
Base-Base interactions energy: -143.142
where: short stacking energy: -67.719
Base-Backbone interact. energy: -0.272
local terms energy: -88.795934
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -18.100
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: 272
Temperature: 1.250000
Total energy: -121.241556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.241556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.241556 (E_RNA)
where:
Base-Base interactions energy: -41.159
where: short stacking energy: -39.169
Base-Backbone interact. energy: -0.471
local terms energy: -79.611813
where:
bonds (distance) C4'-P energy: -23.677
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -109.712361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.712361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.712361 (E_RNA)
where:
Base-Base interactions energy: -47.143
where: short stacking energy: -34.643
Base-Backbone interact. energy: -0.276
local terms energy: -62.293984
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: 4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -110.018032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.018032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.018032 (E_RNA)
where:
Base-Base interactions energy: -43.472
where: short stacking energy: -40.412
Base-Backbone interact. energy: -0.739
local terms energy: -65.807105
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -12.597
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: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -319.955752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.955752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.955752 (E_RNA)
where:
Base-Base interactions energy: -200.183
where: short stacking energy: -106.636
Base-Backbone interact. energy: -0.093
local terms energy: -119.680314
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -34.920
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: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -295.968380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.968380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.968380 (E_RNA)
where:
Base-Base interactions energy: -174.681
where: short stacking energy: -86.886
Base-Backbone interact. energy: -0.359
local terms energy: -120.928182
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -24.136
flat angles C4'-P-C4' energy: -24.450
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: -28.782
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: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -268.722749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.722749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.722749 (E_RNA)
where:
Base-Base interactions energy: -168.394
where: short stacking energy: -97.942
Base-Backbone interact. energy: -0.024
local terms energy: -100.304888
where:
bonds (distance) C4'-P energy: -20.022
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -25.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -254.581767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.581767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.581767 (E_RNA)
where:
Base-Base interactions energy: -143.607
where: short stacking energy: -82.110
Base-Backbone interact. energy: 1.343
local terms energy: -112.317208
where:
bonds (distance) C4'-P energy: -22.225
bonds (distance) P-C4' energy: -24.441
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: -22.146
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: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -248.705592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.705592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.705592 (E_RNA)
where:
Base-Base interactions energy: -164.503
where: short stacking energy: -88.034
Base-Backbone interact. energy: -0.446
local terms energy: -83.755827
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -21.147
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -250.196620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.196620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.196620 (E_RNA)
where:
Base-Base interactions energy: -150.882
where: short stacking energy: -81.267
Base-Backbone interact. energy: -0.163
local terms energy: -99.151437
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -12.744
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: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -217.523834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.523834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.523834 (E_RNA)
where:
Base-Base interactions energy: -131.475
where: short stacking energy: -62.439
Base-Backbone interact. energy: -0.186
local terms energy: -85.863019
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -120.015860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.015860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.015860 (E_RNA)
where:
Base-Base interactions energy: -39.638
where: short stacking energy: -37.211
Base-Backbone interact. energy: -0.328
local terms energy: -80.049914
where:
bonds (distance) C4'-P energy: -21.351
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -111.804810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.804810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.804810 (E_RNA)
where:
Base-Base interactions energy: -39.641
where: short stacking energy: -34.819
Base-Backbone interact. energy: -0.162
local terms energy: -72.002039
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -10.844
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: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -102.920871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.920871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.920871 (E_RNA)
where:
Base-Base interactions energy: -43.051
where: short stacking energy: -39.079
Base-Backbone interact. energy: -0.377
local terms energy: -59.492786
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -7.515
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: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -304.304992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.304992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.304992 (E_RNA)
where:
Base-Base interactions energy: -197.658
where: short stacking energy: -105.211
Base-Backbone interact. energy: 1.184
local terms energy: -107.831158
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -17.275
tors. eta vs tors. theta energy: -28.605
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: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -300.308912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.308912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.308912 (E_RNA)
where:
Base-Base interactions energy: -196.238
where: short stacking energy: -93.342
Base-Backbone interact. energy: -0.339
local terms energy: -103.731926
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -28.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -254.755906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.755906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.755906 (E_RNA)
where:
Base-Base interactions energy: -152.974
where: short stacking energy: -88.944
Base-Backbone interact. energy: -0.339
local terms energy: -101.442274
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -23.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -255.005107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.005107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.005107 (E_RNA)
where:
Base-Base interactions energy: -154.490
where: short stacking energy: -83.697
Base-Backbone interact. energy: -0.291
local terms energy: -100.224297
where:
bonds (distance) C4'-P energy: -26.459
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -24.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -258.649177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.649177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.649177 (E_RNA)
where:
Base-Base interactions energy: -156.740
where: short stacking energy: -80.299
Base-Backbone interact. energy: -0.293
local terms energy: -101.615216
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -22.806
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: 274
Temperature: 1.150000
Total energy: -238.301749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.301749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.301749 (E_RNA)
where:
Base-Base interactions energy: -142.264
where: short stacking energy: -70.725
Base-Backbone interact. energy: -0.146
local terms energy: -95.891625
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -17.155
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -234.107332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.107332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.107332 (E_RNA)
where:
Base-Base interactions energy: -136.822
where: short stacking energy: -71.478
Base-Backbone interact. energy: 4.411
local terms energy: -101.696216
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -24.853
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -21.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -137.670701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.670701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.670701 (E_RNA)
where:
Base-Base interactions energy: -64.952
where: short stacking energy: -45.003
Base-Backbone interact. energy: -0.295
local terms energy: -72.422873
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -117.284211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.284211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.284211 (E_RNA)
where:
Base-Base interactions energy: -34.661
where: short stacking energy: -34.661
Base-Backbone interact. energy: -0.656
local terms energy: -81.967268
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -20.056
tors. eta vs tors. theta energy: 1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -110.353959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.353959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.353959 (E_RNA)
where:
Base-Base interactions energy: -41.471
where: short stacking energy: -38.847
Base-Backbone interact. energy: -0.134
local terms energy: -68.748523
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -2.736
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: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -324.392359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.392359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.392359 (E_RNA)
where:
Base-Base interactions energy: -211.659
where: short stacking energy: -110.657
Base-Backbone interact. energy: 1.237
local terms energy: -113.970322
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -24.692
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -33.118
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: 275
Temperature: 0.950000
Total energy: -284.769923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.769923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.769923 (E_RNA)
where:
Base-Base interactions energy: -181.010
where: short stacking energy: -100.365
Base-Backbone interact. energy: -0.303
local terms energy: -103.457059
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -26.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -250.727650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.727650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.727650 (E_RNA)
where:
Base-Base interactions energy: -146.443
where: short stacking energy: -89.228
Base-Backbone interact. energy: -0.025
local terms energy: -104.259660
where:
bonds (distance) C4'-P energy: -21.616
bonds (distance) P-C4' energy: -25.076
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -23.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -273.419229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.419229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.419229 (E_RNA)
where:
Base-Base interactions energy: -177.271
where: short stacking energy: -98.087
Base-Backbone interact. energy: -0.230
local terms energy: -95.918117
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -20.370
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -264.636214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.636214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.636214 (E_RNA)
where:
Base-Base interactions energy: -168.839
where: short stacking energy: -87.600
Base-Backbone interact. energy: -0.134
local terms energy: -95.663044
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -26.110
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: 275
Temperature: 1.150000
Total energy: -246.487862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.487862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.487862 (E_RNA)
where:
Base-Base interactions energy: -150.159
where: short stacking energy: -79.455
Base-Backbone interact. energy: -0.123
local terms energy: -96.206147
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -20.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -223.550983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.550983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.550983 (E_RNA)
where:
Base-Base interactions energy: -138.427
where: short stacking energy: -62.945
Base-Backbone interact. energy: -0.117
local terms energy: -85.006562
where:
bonds (distance) C4'-P energy: -23.573
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -8.319
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: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -117.042232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.042232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.042232 (E_RNA)
where:
Base-Base interactions energy: -44.853
where: short stacking energy: -39.738
Base-Backbone interact. energy: 1.370
local terms energy: -73.559696
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -16.718
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: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -110.250470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.250470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.250470 (E_RNA)
where:
Base-Base interactions energy: -34.332
where: short stacking energy: -33.338
Base-Backbone interact. energy: -0.360
local terms energy: -75.558634
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -13.796
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: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -113.972999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.972999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.972999 (E_RNA)
where:
Base-Base interactions energy: -38.854
where: short stacking energy: -36.910
Base-Backbone interact. energy: 0.182
local terms energy: -75.301039
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -8.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -327.042141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.042141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.042141 (E_RNA)
where:
Base-Base interactions energy: -213.453
where: short stacking energy: -107.059
Base-Backbone interact. energy: -0.091
local terms energy: -113.498408
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -32.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -288.362470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.362470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.362470 (E_RNA)
where:
Base-Base interactions energy: -186.688
where: short stacking energy: -93.299
Base-Backbone interact. energy: -0.464
local terms energy: -101.210533
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -23.419
flat angles P-C4'-P energy: -12.328
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: 276
Temperature: 1.000000
Total energy: -273.669198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.669198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.669198 (E_RNA)
where:
Base-Base interactions energy: -170.008
where: short stacking energy: -81.588
Base-Backbone interact. energy: -0.372
local terms energy: -103.289945
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: -26.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -263.162989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.162989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.162989 (E_RNA)
where:
Base-Base interactions energy: -152.525
where: short stacking energy: -91.216
Base-Backbone interact. energy: 0.493
local terms energy: -111.130897
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -22.454
flat angles C4'-P-C4' energy: -25.589
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -28.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -260.461358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.461358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.461358 (E_RNA)
where:
Base-Base interactions energy: -157.279
where: short stacking energy: -82.181
Base-Backbone interact. energy: -0.057
local terms energy: -103.125464
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -25.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -247.645861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.645861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.645861 (E_RNA)
where:
Base-Base interactions energy: -150.473
where: short stacking energy: -76.394
Base-Backbone interact. energy: -0.414
local terms energy: -96.758920
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -215.621437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.621437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.621437 (E_RNA)
where:
Base-Base interactions energy: -141.868
where: short stacking energy: -57.630
Base-Backbone interact. energy: -0.617
local terms energy: -73.137157
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -8.015
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: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -118.450054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.450054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.450054 (E_RNA)
where:
Base-Base interactions energy: -36.971
where: short stacking energy: -36.971
Base-Backbone interact. energy: 0.164
local terms energy: -81.642445
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -111.741503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.741503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.741503 (E_RNA)
where:
Base-Base interactions energy: -44.432
where: short stacking energy: -44.432
Base-Backbone interact. energy: -0.098
local terms energy: -67.211743
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -116.043859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.043859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.043859 (E_RNA)
where:
Base-Base interactions energy: -44.046
where: short stacking energy: -23.664
Base-Backbone interact. energy: 0.038
local terms energy: -72.036181
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -321.217107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.217107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.217107 (E_RNA)
where:
Base-Base interactions energy: -206.670
where: short stacking energy: -102.965
Base-Backbone interact. energy: -0.145
local terms energy: -114.402547
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -27.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -298.425746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.425746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.425746 (E_RNA)
where:
Base-Base interactions energy: -185.039
where: short stacking energy: -98.443
Base-Backbone interact. energy: -0.542
local terms energy: -112.844277
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -24.602
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -28.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -276.230410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.230410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.230410 (E_RNA)
where:
Base-Base interactions energy: -175.574
where: short stacking energy: -86.779
Base-Backbone interact. energy: -0.070
local terms energy: -100.586155
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -27.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -250.594278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.594278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.594278 (E_RNA)
where:
Base-Base interactions energy: -153.298
where: short stacking energy: -85.264
Base-Backbone interact. energy: -0.902
local terms energy: -96.394403
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -242.457089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.457089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.457089 (E_RNA)
where:
Base-Base interactions energy: -144.385
where: short stacking energy: -89.140
Base-Backbone interact. energy: 0.026
local terms energy: -98.098453
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -23.885
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: -24.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -228.550421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.550421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.550421 (E_RNA)
where:
Base-Base interactions energy: -133.801
where: short stacking energy: -76.013
Base-Backbone interact. energy: -0.315
local terms energy: -94.434834
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -17.254
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: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -246.419180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.419180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.419180 (E_RNA)
where:
Base-Base interactions energy: -152.028
where: short stacking energy: -90.654
Base-Backbone interact. energy: -0.105
local terms energy: -94.286287
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -24.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -118.252946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.252946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.252946 (E_RNA)
where:
Base-Base interactions energy: -43.905
where: short stacking energy: -40.211
Base-Backbone interact. energy: -0.191
local terms energy: -74.156942
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -119.486465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.486465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.486465 (E_RNA)
where:
Base-Base interactions energy: -48.049
where: short stacking energy: -41.633
Base-Backbone interact. energy: -0.325
local terms energy: -71.112159
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -123.107498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.107498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.107498 (E_RNA)
where:
Base-Base interactions energy: -55.048
where: short stacking energy: -47.875
Base-Backbone interact. energy: -0.347
local terms energy: -67.712872
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -291.694852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.694852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.694852 (E_RNA)
where:
Base-Base interactions energy: -186.894
where: short stacking energy: -98.740
Base-Backbone interact. energy: 0.259
local terms energy: -105.059911
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -27.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -313.786119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.786119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.786119 (E_RNA)
where:
Base-Base interactions energy: -196.280
where: short stacking energy: -96.637
Base-Backbone interact. energy: -0.581
local terms energy: -116.925859
where:
bonds (distance) C4'-P energy: -21.415
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -28.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -258.606635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.606635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.606635 (E_RNA)
where:
Base-Base interactions energy: -161.701
where: short stacking energy: -89.644
Base-Backbone interact. energy: -0.054
local terms energy: -96.851694
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -24.864
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -268.637189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.637189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.637189 (E_RNA)
where:
Base-Base interactions energy: -166.196
where: short stacking energy: -71.850
Base-Backbone interact. energy: -0.155
local terms energy: -102.286096
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -239.013553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.013553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.013553 (E_RNA)
where:
Base-Base interactions energy: -140.260
where: short stacking energy: -74.344
Base-Backbone interact. energy: -0.139
local terms energy: -98.614791
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -21.065
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -195.048640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.048640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.048640 (E_RNA)
where:
Base-Base interactions energy: -107.570
where: short stacking energy: -52.949
Base-Backbone interact. energy: -0.138
local terms energy: -87.341437
where:
bonds (distance) C4'-P energy: -22.202
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -222.615072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.615072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.615072 (E_RNA)
where:
Base-Base interactions energy: -142.057
where: short stacking energy: -60.524
Base-Backbone interact. energy: -1.027
local terms energy: -79.531659
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -122.856714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.856714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.856714 (E_RNA)
where:
Base-Base interactions energy: -47.753
where: short stacking energy: -47.753
Base-Backbone interact. energy: -0.094
local terms energy: -75.009356
where:
bonds (distance) C4'-P energy: -23.859
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -13.361
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: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -118.951780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.951780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.951780 (E_RNA)
where:
Base-Base interactions energy: -44.779
where: short stacking energy: -44.779
Base-Backbone interact. energy: -0.230
local terms energy: -73.943288
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -97.850051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.850051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.850051 (E_RNA)
where:
Base-Base interactions energy: -27.086
where: short stacking energy: -22.175
Base-Backbone interact. energy: -0.435
local terms energy: -70.329012
where:
bonds (distance) C4'-P energy: -20.634
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -5.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -305.650193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.650193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.650193 (E_RNA)
where:
Base-Base interactions energy: -188.174
where: short stacking energy: -101.267
Base-Backbone interact. energy: -0.317
local terms energy: -117.159653
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -24.355
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -29.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -316.035537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.035537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.035537 (E_RNA)
where:
Base-Base interactions energy: -201.545
where: short stacking energy: -101.033
Base-Backbone interact. energy: -0.206
local terms energy: -114.284746
where:
bonds (distance) C4'-P energy: -23.626
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -23.024
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -29.985
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: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -275.473164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.473164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.473164 (E_RNA)
where:
Base-Base interactions energy: -168.118
where: short stacking energy: -95.754
Base-Backbone interact. energy: -0.012
local terms energy: -107.343192
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -28.892
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: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -285.670178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.670178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.670178 (E_RNA)
where:
Base-Base interactions energy: -178.894
where: short stacking energy: -101.795
Base-Backbone interact. energy: -0.007
local terms energy: -106.769889
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -31.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -234.076825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.076825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.076825 (E_RNA)
where:
Base-Base interactions energy: -146.327
where: short stacking energy: -58.445
Base-Backbone interact. energy: -0.349
local terms energy: -87.400557
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -11.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -222.449862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.449862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.449862 (E_RNA)
where:
Base-Base interactions energy: -132.404
where: short stacking energy: -77.225
Base-Backbone interact. energy: -0.297
local terms energy: -89.748903
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -21.047
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -14.402
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: 7, replica: 3
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -209.973240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.973240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.973240 (E_RNA)
where:
Base-Base interactions energy: -124.700
where: short stacking energy: -59.490
Base-Backbone interact. energy: -1.363
local terms energy: -83.910234
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -134.140073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.140073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.140073 (E_RNA)
where:
Base-Base interactions energy: -52.334
where: short stacking energy: -48.179
Base-Backbone interact. energy: -0.141
local terms energy: -81.664961
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -10.422
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: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -107.839152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.839152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.839152 (E_RNA)
where:
Base-Base interactions energy: -36.162
where: short stacking energy: -36.162
Base-Backbone interact. energy: -0.344
local terms energy: -71.333378
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -112.197355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.197355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.197355 (E_RNA)
where:
Base-Base interactions energy: -59.753
where: short stacking energy: -57.757
Base-Backbone interact. energy: -0.389
local terms energy: -52.055899
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -6.572
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: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -327.737973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.737973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.737973 (E_RNA)
where:
Base-Base interactions energy: -220.598
where: short stacking energy: -115.392
Base-Backbone interact. energy: -0.074
local terms energy: -107.065609
where:
bonds (distance) C4'-P energy: -21.359
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -31.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -300.120776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.120776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.120776 (E_RNA)
where:
Base-Base interactions energy: -187.273
where: short stacking energy: -101.225
Base-Backbone interact. energy: -0.231
local terms energy: -112.616228
where:
bonds (distance) C4'-P energy: -23.201
bonds (distance) P-C4' energy: -24.255
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -27.691
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: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -279.479019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.479019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.479019 (E_RNA)
where:
Base-Base interactions energy: -165.756
where: short stacking energy: -87.300
Base-Backbone interact. energy: -0.021
local terms energy: -113.702584
where:
bonds (distance) C4'-P energy: -25.241
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -25.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -255.880706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.880706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.880706 (E_RNA)
where:
Base-Base interactions energy: -157.218
where: short stacking energy: -92.421
Base-Backbone interact. energy: -0.263
local terms energy: -98.399891
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -21.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -256.911422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.911422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.911422 (E_RNA)
where:
Base-Base interactions energy: -153.221
where: short stacking energy: -90.075
Base-Backbone interact. energy: -0.298
local terms energy: -103.391727
where:
bonds (distance) C4'-P energy: -23.677
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -27.657
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: 2
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -228.135438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.135438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.135438 (E_RNA)
where:
Base-Base interactions energy: -141.693
where: short stacking energy: -74.765
Base-Backbone interact. energy: -0.055
local terms energy: -86.387087
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -22.100
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -208.951325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.951325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.951325 (E_RNA)
where:
Base-Base interactions energy: -117.712
where: short stacking energy: -63.612
Base-Backbone interact. energy: -0.017
local terms energy: -91.221859
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -12.635
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: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -127.827065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.827065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.827065 (E_RNA)
where:
Base-Base interactions energy: -52.192
where: short stacking energy: -43.338
Base-Backbone interact. energy: -0.178
local terms energy: -75.456808
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -5.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -115.703528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.703528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.703528 (E_RNA)
where:
Base-Base interactions energy: -37.685
where: short stacking energy: -37.685
Base-Backbone interact. energy: -0.131
local terms energy: -77.887379
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -12.809
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: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -104.563328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.563328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.563328 (E_RNA)
where:
Base-Base interactions energy: -38.617
where: short stacking energy: -38.617
Base-Backbone interact. energy: -0.281
local terms energy: -65.665033
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: 0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -322.943809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.943809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.943809 (E_RNA)
where:
Base-Base interactions energy: -208.239
where: short stacking energy: -103.935
Base-Backbone interact. energy: -0.410
local terms energy: -114.294490
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -33.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -286.245532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.245532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.245532 (E_RNA)
where:
Base-Base interactions energy: -181.548
where: short stacking energy: -84.079
Base-Backbone interact. energy: -0.796
local terms energy: -103.901810
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -25.084
flat angles P-C4'-P energy: -17.575
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -265.129657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.129657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.129657 (E_RNA)
where:
Base-Base interactions energy: -156.915
where: short stacking energy: -81.899
Base-Backbone interact. energy: -0.033
local terms energy: -108.181791
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -16.324
tors. eta vs tors. theta energy: -24.498
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: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -267.691901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.691901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.691901 (E_RNA)
where:
Base-Base interactions energy: -170.498
where: short stacking energy: -89.267
Base-Backbone interact. energy: 1.121
local terms energy: -98.314824
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -13.402
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: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -245.807023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.807023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.807023 (E_RNA)
where:
Base-Base interactions energy: -154.318
where: short stacking energy: -87.698
Base-Backbone interact. energy: -0.049
local terms energy: -91.439933
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -8.579
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: 6, replica: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -237.775558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.775558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.775558 (E_RNA)
where:
Base-Base interactions energy: -143.849
where: short stacking energy: -75.424
Base-Backbone interact. energy: -0.121
local terms energy: -93.805227
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -22.712
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -177.441708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.441708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.441708 (E_RNA)
where:
Base-Base interactions energy: -103.128
where: short stacking energy: -53.903
Base-Backbone interact. energy: 0.617
local terms energy: -74.931158
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -16.260
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -108.081645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.081645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.081645 (E_RNA)
where:
Base-Base interactions energy: -47.285
where: short stacking energy: -43.636
Base-Backbone interact. energy: -0.148
local terms energy: -60.648926
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -112.641063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.641063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.641063 (E_RNA)
where:
Base-Base interactions energy: -39.271
where: short stacking energy: -38.756
Base-Backbone interact. energy: -0.108
local terms energy: -73.261863
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -3.586
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: 281
Temperature: 1.350000
Total energy: -105.102738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.102738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.102738 (E_RNA)
where:
Base-Base interactions energy: -38.180
where: short stacking energy: -31.750
Base-Backbone interact. energy: -0.128
local terms energy: -66.794719
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -321.144047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.144047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.144047 (E_RNA)
where:
Base-Base interactions energy: -205.762
where: short stacking energy: -106.048
Base-Backbone interact. energy: -1.055
local terms energy: -114.326897
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -25.958
flat angles P-C4'-P energy: -16.963
tors. eta vs tors. theta energy: -30.265
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: 2, replica: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -280.730898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.730898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.730898 (E_RNA)
where:
Base-Base interactions energy: -186.175
where: short stacking energy: -80.625
Base-Backbone interact. energy: 0.226
local terms energy: -94.781868
where:
bonds (distance) C4'-P energy: -23.396
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -16.240
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: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -266.041385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.041385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.041385 (E_RNA)
where:
Base-Base interactions energy: -167.416
where: short stacking energy: -86.402
Base-Backbone interact. energy: 0.593
local terms energy: -99.218620
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -20.774
flat angles P-C4'-P energy: -16.324
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: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -246.522102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.522102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.522102 (E_RNA)
where:
Base-Base interactions energy: -151.859
where: short stacking energy: -81.646
Base-Backbone interact. energy: -0.227
local terms energy: -94.436847
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -22.429
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: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -250.620072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.620072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.620072 (E_RNA)
where:
Base-Base interactions energy: -160.903
where: short stacking energy: -81.308
Base-Backbone interact. energy: -0.203
local terms energy: -89.514259
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -26.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -246.715788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.715788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.715788 (E_RNA)
where:
Base-Base interactions energy: -155.701
where: short stacking energy: -79.671
Base-Backbone interact. energy: -0.187
local terms energy: -90.828094
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -192.579965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.579965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.579965 (E_RNA)
where:
Base-Base interactions energy: -99.216
where: short stacking energy: -56.396
Base-Backbone interact. energy: -0.884
local terms energy: -92.479957
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -13.711
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: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -120.598644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.598644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.598644 (E_RNA)
where:
Base-Base interactions energy: -38.662
where: short stacking energy: -38.662
Base-Backbone interact. energy: -0.410
local terms energy: -81.526515
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -21.312
flat angles P-C4'-P energy: -11.128
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: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -110.576055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.576055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.576055 (E_RNA)
where:
Base-Base interactions energy: -43.109
where: short stacking energy: -42.319
Base-Backbone interact. energy: 0.315
local terms energy: -67.781184
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: 1.785
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: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -100.569467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.569467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.569467 (E_RNA)
where:
Base-Base interactions energy: -34.910
where: short stacking energy: -35.206
Base-Backbone interact. energy: -0.101
local terms energy: -65.558503
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -2.083
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -329.647524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.647524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.647524 (E_RNA)
where:
Base-Base interactions energy: -206.984
where: short stacking energy: -112.010
Base-Backbone interact. energy: -0.211
local terms energy: -122.452838
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -32.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -270.960742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.960742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.960742 (E_RNA)
where:
Base-Base interactions energy: -164.414
where: short stacking energy: -90.573
Base-Backbone interact. energy: 0.645
local terms energy: -107.191106
where:
bonds (distance) C4'-P energy: -23.359
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -23.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -280.172201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.172201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.172201 (E_RNA)
where:
Base-Base interactions energy: -171.596
where: short stacking energy: -84.474
Base-Backbone interact. energy: -0.475
local terms energy: -108.101568
where:
bonds (distance) C4'-P energy: -19.811
bonds (distance) P-C4' energy: -25.453
flat angles C4'-P-C4' energy: -25.268
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -23.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -242.182909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.182909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.182909 (E_RNA)
where:
Base-Base interactions energy: -147.655
where: short stacking energy: -78.246
Base-Backbone interact. energy: -0.304
local terms energy: -94.223439
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -18.839
flat angles C4'-P-C4' energy: -23.598
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -20.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -251.514963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.514963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.514963 (E_RNA)
where:
Base-Base interactions energy: -164.298
where: short stacking energy: -78.742
Base-Backbone interact. energy: -1.282
local terms energy: -85.935598
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -21.541
flat angles P-C4'-P energy: -12.764
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: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -238.799953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.799953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.799953 (E_RNA)
where:
Base-Base interactions energy: -142.481
where: short stacking energy: -73.065
Base-Backbone interact. energy: -0.737
local terms energy: -95.582337
where:
bonds (distance) C4'-P energy: -21.789
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -186.463888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.463888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.463888 (E_RNA)
where:
Base-Base interactions energy: -114.702
where: short stacking energy: -54.019
Base-Backbone interact. energy: -0.013
local terms energy: -71.749103
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -10.481
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: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -119.782466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.782466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.782466 (E_RNA)
where:
Base-Base interactions energy: -51.479
where: short stacking energy: -42.780
Base-Backbone interact. energy: 1.836
local terms energy: -70.139784
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -7.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -114.833565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.833565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.833565 (E_RNA)
where:
Base-Base interactions energy: -38.496
where: short stacking energy: -37.808
Base-Backbone interact. energy: -0.390
local terms energy: -75.947394
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -19.466
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -6.735
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: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -107.778480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.778480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.778480 (E_RNA)
where:
Base-Base interactions energy: -46.909
where: short stacking energy: -36.401
Base-Backbone interact. energy: -0.437
local terms energy: -60.433119
where:
bonds (distance) C4'-P energy: -2.448
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -21.140
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -0.938
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: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -334.055786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.055786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.055786 (E_RNA)
where:
Base-Base interactions energy: -207.857
where: short stacking energy: -103.810
Base-Backbone interact. energy: -0.431
local terms energy: -125.767383
where:
bonds (distance) C4'-P energy: -24.492
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -25.794
flat angles P-C4'-P energy: -18.584
tors. eta vs tors. theta energy: -32.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -275.408628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.408628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.408628 (E_RNA)
where:
Base-Base interactions energy: -169.941
where: short stacking energy: -90.506
Base-Backbone interact. energy: 1.054
local terms energy: -106.521866
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -18.999
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -24.777
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: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -269.528981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.528981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.528981 (E_RNA)
where:
Base-Base interactions energy: -170.748
where: short stacking energy: -73.113
Base-Backbone interact. energy: -0.665
local terms energy: -98.116508
where:
bonds (distance) C4'-P energy: -23.959
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -248.421097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.421097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.421097 (E_RNA)
where:
Base-Base interactions energy: -148.056
where: short stacking energy: -79.598
Base-Backbone interact. energy: -0.232
local terms energy: -100.133722
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -239.812681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.812681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.812681 (E_RNA)
where:
Base-Base interactions energy: -143.206
where: short stacking energy: -66.793
Base-Backbone interact. energy: -0.469
local terms energy: -96.138125
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -17.147
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: 2
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -245.918481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.918481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.918481 (E_RNA)
where:
Base-Base interactions energy: -145.522
where: short stacking energy: -77.443
Base-Backbone interact. energy: 1.314
local terms energy: -101.709907
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -23.105
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -20.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -186.458350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.458350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.458350 (E_RNA)
where:
Base-Base interactions energy: -99.320
where: short stacking energy: -65.001
Base-Backbone interact. energy: 0.343
local terms energy: -87.481583
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -119.533193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.533193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.533193 (E_RNA)
where:
Base-Base interactions energy: -39.562
where: short stacking energy: -35.470
Base-Backbone interact. energy: -0.276
local terms energy: -79.694899
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -140.999291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.999291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.999291 (E_RNA)
where:
Base-Base interactions energy: -69.415
where: short stacking energy: -36.017
Base-Backbone interact. energy: -0.321
local terms energy: -71.262618
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -22.117
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -18.190
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: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -112.364006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.364006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.364006 (E_RNA)
where:
Base-Base interactions energy: -37.133
where: short stacking energy: -30.708
Base-Backbone interact. energy: -0.156
local terms energy: -75.075523
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -5.581
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: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -328.578274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.578274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.578274 (E_RNA)
where:
Base-Base interactions energy: -208.103
where: short stacking energy: -113.753
Base-Backbone interact. energy: -0.049
local terms energy: -120.426058
where:
bonds (distance) C4'-P energy: -21.773
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -25.275
flat angles P-C4'-P energy: -18.900
tors. eta vs tors. theta energy: -30.889
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: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -274.377149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.377149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.377149 (E_RNA)
where:
Base-Base interactions energy: -168.959
where: short stacking energy: -84.094
Base-Backbone interact. energy: -0.202
local terms energy: -105.215650
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -18.490
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: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -273.433635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.433635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.433635 (E_RNA)
where:
Base-Base interactions energy: -165.491
where: short stacking energy: -91.678
Base-Backbone interact. energy: -0.122
local terms energy: -107.820694
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -27.421
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: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -241.158639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.158639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.158639 (E_RNA)
where:
Base-Base interactions energy: -152.410
where: short stacking energy: -82.958
Base-Backbone interact. energy: -0.297
local terms energy: -88.451296
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -247.867987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.867987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.867987 (E_RNA)
where:
Base-Base interactions energy: -157.562
where: short stacking energy: -84.231
Base-Backbone interact. energy: 0.104
local terms energy: -90.410936
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -21.764
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -242.529525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.529525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.529525 (E_RNA)
where:
Base-Base interactions energy: -145.757
where: short stacking energy: -71.142
Base-Backbone interact. energy: -0.401
local terms energy: -96.371804
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -23.897
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -183.493327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.493327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.493327 (E_RNA)
where:
Base-Base interactions energy: -91.721
where: short stacking energy: -58.410
Base-Backbone interact. energy: 0.328
local terms energy: -92.099814
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -182.773845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.773845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.773845 (E_RNA)
where:
Base-Base interactions energy: -103.318
where: short stacking energy: -51.065
Base-Backbone interact. energy: -0.141
local terms energy: -79.315653
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -25.605
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -7.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -120.614201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.614201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.614201 (E_RNA)
where:
Base-Base interactions energy: -50.058
where: short stacking energy: -27.361
Base-Backbone interact. energy: -0.523
local terms energy: -70.032399
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -18.058
tors. eta vs tors. theta energy: 5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -100.846357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.846357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.846357 (E_RNA)
where:
Base-Base interactions energy: -45.528
where: short stacking energy: -36.921
Base-Backbone interact. energy: -0.427
local terms energy: -54.891586
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -22.900
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: 2.467
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: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -321.854453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.854453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.854453 (E_RNA)
where:
Base-Base interactions energy: -200.122
where: short stacking energy: -106.308
Base-Backbone interact. energy: -0.049
local terms energy: -121.683655
where:
bonds (distance) C4'-P energy: -24.409
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -24.692
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -32.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -283.575749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.575749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.575749 (E_RNA)
where:
Base-Base interactions energy: -185.117
where: short stacking energy: -89.318
Base-Backbone interact. energy: -0.354
local terms energy: -98.104079
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -20.814
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: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -257.089765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.089765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.089765 (E_RNA)
where:
Base-Base interactions energy: -163.469
where: short stacking energy: -93.768
Base-Backbone interact. energy: -0.031
local terms energy: -93.590307
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -16.633
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: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -258.898545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.898545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.898545 (E_RNA)
where:
Base-Base interactions energy: -158.029
where: short stacking energy: -84.033
Base-Backbone interact. energy: -0.113
local terms energy: -100.756787
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -21.340
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: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -237.726746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.726746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.726746 (E_RNA)
where:
Base-Base interactions energy: -140.925
where: short stacking energy: -72.096
Base-Backbone interact. energy: -0.715
local terms energy: -96.086586
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -22.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -237.368533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.368533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.368533 (E_RNA)
where:
Base-Base interactions energy: -153.287
where: short stacking energy: -80.197
Base-Backbone interact. energy: -0.032
local terms energy: -84.049386
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -25.066
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: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -171.219375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.219375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.219375 (E_RNA)
where:
Base-Base interactions energy: -100.814
where: short stacking energy: -50.697
Base-Backbone interact. energy: -0.434
local terms energy: -69.970982
where:
bonds (distance) C4'-P energy: -22.373
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -16.426
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: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -150.043658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.043658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.043658 (E_RNA)
where:
Base-Base interactions energy: -82.619
where: short stacking energy: -44.838
Base-Backbone interact. energy: -0.207
local terms energy: -67.217834
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -113.113886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.113886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.113886 (E_RNA)
where:
Base-Base interactions energy: -48.421
where: short stacking energy: -39.705
Base-Backbone interact. energy: -0.326
local terms energy: -64.367005
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -106.958814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.958814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.958814 (E_RNA)
where:
Base-Base interactions energy: -43.041
where: short stacking energy: -30.317
Base-Backbone interact. energy: -0.309
local terms energy: -63.608205
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: 0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -327.645205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.645205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.645205 (E_RNA)
where:
Base-Base interactions energy: -207.928
where: short stacking energy: -108.089
Base-Backbone interact. energy: -0.334
local terms energy: -119.383446
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -27.081
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -28.323
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: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -281.920699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.920699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.920699 (E_RNA)
where:
Base-Base interactions energy: -185.518
where: short stacking energy: -90.467
Base-Backbone interact. energy: 0.591
local terms energy: -96.993898
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -23.851
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -287.862402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.862402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.862402 (E_RNA)
where:
Base-Base interactions energy: -185.842
where: short stacking energy: -109.676
Base-Backbone interact. energy: -0.003
local terms energy: -102.017263
where:
bonds (distance) C4'-P energy: -22.618
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -27.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -261.355023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.355023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.355023 (E_RNA)
where:
Base-Base interactions energy: -159.828
where: short stacking energy: -87.614
Base-Backbone interact. energy: -0.185
local terms energy: -101.342196
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -24.100
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -256.635490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.635490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.635490 (E_RNA)
where:
Base-Base interactions energy: -155.869
where: short stacking energy: -76.056
Base-Backbone interact. energy: -0.405
local terms energy: -100.361974
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -15.930
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: 6, replica: 2
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -244.420604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.420604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.420604 (E_RNA)
where:
Base-Base interactions energy: -153.157
where: short stacking energy: -78.910
Base-Backbone interact. energy: -0.167
local terms energy: -91.096688
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -21.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -156.411125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.411125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.411125 (E_RNA)
where:
Base-Base interactions energy: -75.159
where: short stacking energy: -35.518
Base-Backbone interact. energy: 1.036
local terms energy: -82.287824
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -113.487545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.487545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.487545 (E_RNA)
where:
Base-Base interactions energy: -51.222
where: short stacking energy: -47.987
Base-Backbone interact. energy: -0.508
local terms energy: -61.757596
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -112.385888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.385888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.385888 (E_RNA)
where:
Base-Base interactions energy: -42.593
where: short stacking energy: -42.593
Base-Backbone interact. energy: -0.037
local terms energy: -69.756368
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -103.898085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.898085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.898085 (E_RNA)
where:
Base-Base interactions energy: -41.434
where: short stacking energy: -41.044
Base-Backbone interact. energy: -0.210
local terms energy: -62.254387
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -323.688350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.688350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.688350 (E_RNA)
where:
Base-Base interactions energy: -213.294
where: short stacking energy: -105.549
Base-Backbone interact. energy: -0.302
local terms energy: -110.091817
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -32.365
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: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -293.180513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.180513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.180513 (E_RNA)
where:
Base-Base interactions energy: -186.522
where: short stacking energy: -95.739
Base-Backbone interact. energy: -0.222
local terms energy: -106.436357
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -22.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -287.461586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.461586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.461586 (E_RNA)
where:
Base-Base interactions energy: -184.373
where: short stacking energy: -105.400
Base-Backbone interact. energy: -0.104
local terms energy: -102.985036
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -28.466
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: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -259.710104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.710104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.710104 (E_RNA)
where:
Base-Base interactions energy: -154.824
where: short stacking energy: -87.517
Base-Backbone interact. energy: -0.230
local terms energy: -104.656212
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -24.180
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -26.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -263.963145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.963145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.963145 (E_RNA)
where:
Base-Base interactions energy: -162.510
where: short stacking energy: -76.066
Base-Backbone interact. energy: 0.039
local terms energy: -101.492225
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -22.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -227.915195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.915195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.915195 (E_RNA)
where:
Base-Base interactions energy: -146.337
where: short stacking energy: -71.246
Base-Backbone interact. energy: -0.399
local terms energy: -81.179107
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -15.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -139.203387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.203387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.203387 (E_RNA)
where:
Base-Base interactions energy: -55.036
where: short stacking energy: -53.941
Base-Backbone interact. energy: -0.240
local terms energy: -83.927963
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -13.841
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: 288
Temperature: 1.250000
Total energy: -171.604175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.604175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.604175 (E_RNA)
where:
Base-Base interactions energy: -104.391
where: short stacking energy: -47.630
Base-Backbone interact. energy: 1.972
local terms energy: -69.185628
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -9.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -112.663687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.663687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.663687 (E_RNA)
where:
Base-Base interactions energy: -47.891
where: short stacking energy: -44.337
Base-Backbone interact. energy: -0.027
local terms energy: -64.745059
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -104.615571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.615571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.615571 (E_RNA)
where:
Base-Base interactions energy: -38.630
where: short stacking energy: -38.571
Base-Backbone interact. energy: -0.569
local terms energy: -65.417048
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -333.364465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.364465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.364465 (E_RNA)
where:
Base-Base interactions energy: -213.302
where: short stacking energy: -116.909
Base-Backbone interact. energy: -0.185
local terms energy: -119.877178
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -25.711
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -33.993
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: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -287.989717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.989717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.989717 (E_RNA)
where:
Base-Base interactions energy: -175.764
where: short stacking energy: -103.294
Base-Backbone interact. energy: -0.015
local terms energy: -112.210946
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -27.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -289.603674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.603674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.603674 (E_RNA)
where:
Base-Base interactions energy: -187.812
where: short stacking energy: -85.715
Base-Backbone interact. energy: 0.960
local terms energy: -102.751481
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -267.363705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.363705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.363705 (E_RNA)
where:
Base-Base interactions energy: -160.451
where: short stacking energy: -82.921
Base-Backbone interact. energy: -0.187
local terms energy: -106.725669
where:
bonds (distance) C4'-P energy: -25.192
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -23.030
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: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -276.985860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.985860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.985860 (E_RNA)
where:
Base-Base interactions energy: -167.430
where: short stacking energy: -89.491
Base-Backbone interact. energy: 1.181
local terms energy: -110.736775
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -18.358
tors. eta vs tors. theta energy: -27.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -255.220929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.220929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.220929 (E_RNA)
where:
Base-Base interactions energy: -153.222
where: short stacking energy: -85.816
Base-Backbone interact. energy: 0.662
local terms energy: -102.661146
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -23.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -124.672719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.672719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.672719 (E_RNA)
where:
Base-Base interactions energy: -48.397
where: short stacking energy: -45.791
Base-Backbone interact. energy: -0.459
local terms energy: -75.816307
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -171.429511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.429511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.429511 (E_RNA)
where:
Base-Base interactions energy: -96.135
where: short stacking energy: -45.593
Base-Backbone interact. energy: -0.157
local terms energy: -75.137348
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -103.550123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.550123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.550123 (E_RNA)
where:
Base-Base interactions energy: -41.334
where: short stacking energy: -41.334
Base-Backbone interact. energy: -0.136
local terms energy: -62.079900
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: 1.617
tors. eta vs tors. theta energy: -5.773
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: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -110.034601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.034601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.034601 (E_RNA)
where:
Base-Base interactions energy: -37.205
where: short stacking energy: -27.279
Base-Backbone interact. energy: -0.246
local terms energy: -72.583031
where:
bonds (distance) C4'-P energy: -21.116
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -285.474527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.474527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.474527 (E_RNA)
where:
Base-Base interactions energy: -182.241
where: short stacking energy: -97.374
Base-Backbone interact. energy: -0.062
local terms energy: -103.171666
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -23.133
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: 290
Temperature: 0.950000
Total energy: -305.211369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.211369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.211369 (E_RNA)
where:
Base-Base interactions energy: -203.117
where: short stacking energy: -98.528
Base-Backbone interact. energy: -0.021
local terms energy: -102.073565
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -22.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -293.706928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.706928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.706928 (E_RNA)
where:
Base-Base interactions energy: -178.910
where: short stacking energy: -95.943
Base-Backbone interact. energy: -1.397
local terms energy: -113.399701
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -28.497
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: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -274.839791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.839791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.839791 (E_RNA)
where:
Base-Base interactions energy: -188.245
where: short stacking energy: -80.800
Base-Backbone interact. energy: 1.921
local terms energy: -88.516323
where:
bonds (distance) C4'-P energy: -22.601
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -258.924618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.924618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.924618 (E_RNA)
where:
Base-Base interactions energy: -156.436
where: short stacking energy: -90.210
Base-Backbone interact. energy: 0.052
local terms energy: -102.540747
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -23.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -233.365890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.365890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.365890 (E_RNA)
where:
Base-Base interactions energy: -144.313
where: short stacking energy: -70.272
Base-Backbone interact. energy: -0.518
local terms energy: -88.534716
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -20.687
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -10.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -126.099723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.099723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.099723 (E_RNA)
where:
Base-Base interactions energy: -45.803
where: short stacking energy: -35.526
Base-Backbone interact. energy: -0.459
local terms energy: -79.837864
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -130.687852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.687852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.687852 (E_RNA)
where:
Base-Base interactions energy: -55.202
where: short stacking energy: -56.489
Base-Backbone interact. energy: -0.126
local terms energy: -75.359937
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -20.693
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -10.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -108.750749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.750749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.750749 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.313
local terms energy: -71.904326
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -24.132
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: 3.936
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: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -97.927035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.927035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.927035 (E_RNA)
where:
Base-Base interactions energy: -36.925
where: short stacking energy: -31.875
Base-Backbone interact. energy: 2.056
local terms energy: -63.057779
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: 4.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -280.747274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.747274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.747274 (E_RNA)
where:
Base-Base interactions energy: -164.272
where: short stacking energy: -99.973
Base-Backbone interact. energy: -0.553
local terms energy: -115.922312
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -24.484
flat angles P-C4'-P energy: -17.639
tors. eta vs tors. theta energy: -26.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -310.951004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.951004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.951004 (E_RNA)
where:
Base-Base interactions energy: -194.386
where: short stacking energy: -97.815
Base-Backbone interact. energy: -0.128
local terms energy: -116.436095
where:
bonds (distance) C4'-P energy: -24.786
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -30.868
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: 291
Temperature: 1.000000
Total energy: -290.651811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.651811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.651811 (E_RNA)
where:
Base-Base interactions energy: -182.907
where: short stacking energy: -108.108
Base-Backbone interact. energy: -0.204
local terms energy: -107.540559
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -33.842
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: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -275.912525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.912525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.912525 (E_RNA)
where:
Base-Base interactions energy: -176.593
where: short stacking energy: -92.411
Base-Backbone interact. energy: -0.744
local terms energy: -98.575532
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -22.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -272.287380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.287380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.287380 (E_RNA)
where:
Base-Base interactions energy: -153.592
where: short stacking energy: -87.139
Base-Backbone interact. energy: -0.235
local terms energy: -118.460131
where:
bonds (distance) C4'-P energy: -23.532
bonds (distance) P-C4' energy: -24.635
flat angles C4'-P-C4' energy: -24.831
flat angles P-C4'-P energy: -18.823
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: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -219.401160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.401160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.401160 (E_RNA)
where:
Base-Base interactions energy: -130.149
where: short stacking energy: -63.169
Base-Backbone interact. energy: -0.526
local terms energy: -88.726764
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -10.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -133.071681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.071681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.071681 (E_RNA)
where:
Base-Base interactions energy: -53.549
where: short stacking energy: -47.023
Base-Backbone interact. energy: -0.611
local terms energy: -78.912026
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -8.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -119.425568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.425568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.425568 (E_RNA)
where:
Base-Base interactions energy: -40.086
where: short stacking energy: -38.693
Base-Backbone interact. energy: -2.323
local terms energy: -77.017217
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -22.671
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -7.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -119.390139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.390139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.390139 (E_RNA)
where:
Base-Base interactions energy: -48.358
where: short stacking energy: -28.557
Base-Backbone interact. energy: -0.174
local terms energy: -70.857651
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: 0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -99.783154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.783154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.783154 (E_RNA)
where:
Base-Base interactions energy: -35.463
where: short stacking energy: -35.289
Base-Backbone interact. energy: -0.303
local terms energy: -64.017427
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -327.818291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.818291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.818291 (E_RNA)
where:
Base-Base interactions energy: -211.004
where: short stacking energy: -108.685
Base-Backbone interact. energy: -0.089
local terms energy: -116.725473
where:
bonds (distance) C4'-P energy: -22.029
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -30.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -308.091615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.091615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.091615 (E_RNA)
where:
Base-Base interactions energy: -189.482
where: short stacking energy: -105.358
Base-Backbone interact. energy: -0.450
local terms energy: -118.160337
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -22.218
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -35.691
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: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -285.079028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.079028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.079028 (E_RNA)
where:
Base-Base interactions energy: -173.747
where: short stacking energy: -102.801
Base-Backbone interact. energy: -0.085
local terms energy: -111.247286
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -23.299
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -26.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -267.630285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.630285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.630285 (E_RNA)
where:
Base-Base interactions energy: -175.758
where: short stacking energy: -79.510
Base-Backbone interact. energy: -0.214
local terms energy: -91.658283
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -259.408506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.408506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.408506 (E_RNA)
where:
Base-Base interactions energy: -152.476
where: short stacking energy: -80.506
Base-Backbone interact. energy: -0.215
local terms energy: -106.717637
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -19.156
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: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -236.591071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.591071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.591071 (E_RNA)
where:
Base-Base interactions energy: -147.458
where: short stacking energy: -73.749
Base-Backbone interact. energy: -0.173
local terms energy: -88.959748
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -133.945704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.945704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.945704 (E_RNA)
where:
Base-Base interactions energy: -56.010
where: short stacking energy: -45.066
Base-Backbone interact. energy: -0.105
local terms energy: -77.830700
where:
bonds (distance) C4'-P energy: -22.162
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -9.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -133.872219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.872219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.872219 (E_RNA)
where:
Base-Base interactions energy: -50.421
where: short stacking energy: -46.261
Base-Backbone interact. energy: -0.709
local terms energy: -82.741496
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -119.264086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.264086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.264086 (E_RNA)
where:
Base-Base interactions energy: -44.348
where: short stacking energy: -44.348
Base-Backbone interact. energy: -0.140
local terms energy: -74.775522
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -98.252772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.252772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.252772 (E_RNA)
where:
Base-Base interactions energy: -26.622
where: short stacking energy: -18.903
Base-Backbone interact. energy: 2.743
local terms energy: -74.373541
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -329.926094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.926094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.926094 (E_RNA)
where:
Base-Base interactions energy: -211.732
where: short stacking energy: -111.570
Base-Backbone interact. energy: -0.107
local terms energy: -118.087775
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -31.784
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: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -305.980091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.980091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.980091 (E_RNA)
where:
Base-Base interactions energy: -191.202
where: short stacking energy: -111.624
Base-Backbone interact. energy: -0.117
local terms energy: -114.660402
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -20.456
flat angles C4'-P-C4' energy: -24.438
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -31.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -275.440755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.440755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.440755 (E_RNA)
where:
Base-Base interactions energy: -162.969
where: short stacking energy: -96.766
Base-Backbone interact. energy: -0.117
local terms energy: -112.354948
where:
bonds (distance) C4'-P energy: -22.889
bonds (distance) P-C4' energy: -25.087
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -25.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -265.501771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.501771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.501771 (E_RNA)
where:
Base-Base interactions energy: -173.148
where: short stacking energy: -88.947
Base-Backbone interact. energy: -0.117
local terms energy: -92.236305
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -22.742
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -20.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -262.203388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.203388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.203388 (E_RNA)
where:
Base-Base interactions energy: -162.839
where: short stacking energy: -100.092
Base-Backbone interact. energy: -0.101
local terms energy: -99.262858
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -24.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -236.113611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.113611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.113611 (E_RNA)
where:
Base-Base interactions energy: -141.656
where: short stacking energy: -78.371
Base-Backbone interact. energy: 0.072
local terms energy: -94.529510
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -22.647
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: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -130.570544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.570544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.570544 (E_RNA)
where:
Base-Base interactions energy: -58.452
where: short stacking energy: -45.616
Base-Backbone interact. energy: -0.361
local terms energy: -71.757642
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: 1.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -136.157242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.157242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.157242 (E_RNA)
where:
Base-Base interactions energy: -59.565
where: short stacking energy: -59.565
Base-Backbone interact. energy: 0.299
local terms energy: -76.890739
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -8.085
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: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -113.083794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.083794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.083794 (E_RNA)
where:
Base-Base interactions energy: -47.372
where: short stacking energy: -48.172
Base-Backbone interact. energy: 1.255
local terms energy: -66.966980
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -8.278
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: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -105.684557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.684557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.684557 (E_RNA)
where:
Base-Base interactions energy: -39.635
where: short stacking energy: -35.554
Base-Backbone interact. energy: 3.807
local terms energy: -69.856218
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -14.707
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: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -335.143603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.143603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.143603 (E_RNA)
where:
Base-Base interactions energy: -216.184
where: short stacking energy: -110.524
Base-Backbone interact. energy: 0.953
local terms energy: -119.912798
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -23.839
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -32.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -291.523860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.523860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.523860 (E_RNA)
where:
Base-Base interactions energy: -175.706
where: short stacking energy: -86.188
Base-Backbone interact. energy: -0.073
local terms energy: -115.745239
where:
bonds (distance) C4'-P energy: -26.446
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -27.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -269.632550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.632550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.632550 (E_RNA)
where:
Base-Base interactions energy: -170.465
where: short stacking energy: -81.403
Base-Backbone interact. energy: -0.974
local terms energy: -98.193177
where:
bonds (distance) C4'-P energy: -20.896
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -23.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -264.386029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.386029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.386029 (E_RNA)
where:
Base-Base interactions energy: -162.263
where: short stacking energy: -89.959
Base-Backbone interact. energy: -0.003
local terms energy: -102.120530
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -24.757
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -24.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -256.590481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.590481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.590481 (E_RNA)
where:
Base-Base interactions energy: -150.842
where: short stacking energy: -84.152
Base-Backbone interact. energy: -0.110
local terms energy: -105.637998
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -17.847
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: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -241.455400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.455400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.455400 (E_RNA)
where:
Base-Base interactions energy: -163.504
where: short stacking energy: -85.037
Base-Backbone interact. energy: -0.285
local terms energy: -77.666968
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -16.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -164.181712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.181712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.181712 (E_RNA)
where:
Base-Base interactions energy: -80.940
where: short stacking energy: -50.335
Base-Backbone interact. energy: -0.324
local terms energy: -82.918258
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -15.258
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: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -121.912375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.912375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.912375 (E_RNA)
where:
Base-Base interactions energy: -46.622
where: short stacking energy: -32.040
Base-Backbone interact. energy: -0.161
local terms energy: -75.129370
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -113.992507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.992507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.992507 (E_RNA)
where:
Base-Base interactions energy: -40.904
where: short stacking energy: -32.366
Base-Backbone interact. energy: -0.370
local terms energy: -72.717597
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -14.715
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: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -96.261258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.261258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.261258 (E_RNA)
where:
Base-Base interactions energy: -26.895
where: short stacking energy: -26.895
Base-Backbone interact. energy: -0.242
local terms energy: -69.124229
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -20.882
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -332.013694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.013694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.013694 (E_RNA)
where:
Base-Base interactions energy: -213.456
where: short stacking energy: -115.088
Base-Backbone interact. energy: -0.774
local terms energy: -117.783172
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -23.503
flat angles C4'-P-C4' energy: -26.760
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -30.764
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: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -276.326976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.326976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.326976 (E_RNA)
where:
Base-Base interactions energy: -180.819
where: short stacking energy: -80.099
Base-Backbone interact. energy: 0.086
local terms energy: -95.594308
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -289.652926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.652926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.652926 (E_RNA)
where:
Base-Base interactions energy: -172.224
where: short stacking energy: -102.868
Base-Backbone interact. energy: -0.054
local terms energy: -117.375284
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -31.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -253.165487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.165487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.165487 (E_RNA)
where:
Base-Base interactions energy: -161.508
where: short stacking energy: -90.755
Base-Backbone interact. energy: -0.124
local terms energy: -91.534025
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -254.278100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.278100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.278100 (E_RNA)
where:
Base-Base interactions energy: -152.464
where: short stacking energy: -75.934
Base-Backbone interact. energy: -0.202
local terms energy: -101.611657
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -15.866
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -192.264195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.264195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.264195 (E_RNA)
where:
Base-Base interactions energy: -105.885
where: short stacking energy: -44.509
Base-Backbone interact. energy: -0.714
local terms energy: -85.665915
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -231.258970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.258970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.258970 (E_RNA)
where:
Base-Base interactions energy: -133.995
where: short stacking energy: -67.839
Base-Backbone interact. energy: -0.111
local terms energy: -97.153044
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -22.311
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -122.155259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.155259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.155259 (E_RNA)
where:
Base-Base interactions energy: -51.442
where: short stacking energy: -35.519
Base-Backbone interact. energy: -0.045
local terms energy: -70.668709
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -112.698848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.698848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.698848 (E_RNA)
where:
Base-Base interactions energy: -50.226
where: short stacking energy: -45.670
Base-Backbone interact. energy: -0.285
local terms energy: -62.188229
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -121.172066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.172066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.172066 (E_RNA)
where:
Base-Base interactions energy: -51.045
where: short stacking energy: -36.455
Base-Backbone interact. energy: 1.435
local terms energy: -71.561555
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -342.184822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.184822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.184822 (E_RNA)
where:
Base-Base interactions energy: -213.849
where: short stacking energy: -114.469
Base-Backbone interact. energy: -0.067
local terms energy: -128.269584
where:
bonds (distance) C4'-P energy: -27.175
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -26.539
flat angles P-C4'-P energy: -19.557
tors. eta vs tors. theta energy: -34.501
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: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -281.358404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.358404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.358404 (E_RNA)
where:
Base-Base interactions energy: -188.772
where: short stacking energy: -92.305
Base-Backbone interact. energy: -0.705
local terms energy: -91.880752
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -19.313
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: 296
Temperature: 1.000000
Total energy: -284.085889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.085889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.085889 (E_RNA)
where:
Base-Base interactions energy: -172.230
where: short stacking energy: -84.453
Base-Backbone interact. energy: -0.245
local terms energy: -111.611107
where:
bonds (distance) C4'-P energy: -22.199
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -23.605
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -24.226
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: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -254.703847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.703847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.703847 (E_RNA)
where:
Base-Base interactions energy: -148.185
where: short stacking energy: -86.605
Base-Backbone interact. energy: -0.191
local terms energy: -106.328163
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -24.804
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -258.328001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.328001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.328001 (E_RNA)
where:
Base-Base interactions energy: -160.738
where: short stacking energy: -84.609
Base-Backbone interact. energy: -0.110
local terms energy: -97.479636
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -156.998310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.998310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.998310 (E_RNA)
where:
Base-Base interactions energy: -82.229
where: short stacking energy: -54.746
Base-Backbone interact. energy: -0.038
local terms energy: -74.731118
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -21.449
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -9.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -220.638439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.638439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.638439 (E_RNA)
where:
Base-Base interactions energy: -126.021
where: short stacking energy: -60.532
Base-Backbone interact. energy: -0.057
local terms energy: -94.559761
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -122.521267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.521267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.521267 (E_RNA)
where:
Base-Base interactions energy: -49.011
where: short stacking energy: -41.213
Base-Backbone interact. energy: 0.485
local terms energy: -73.994616
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -22.218
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: 0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -109.756526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.756526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.756526 (E_RNA)
where:
Base-Base interactions energy: -43.039
where: short stacking energy: -25.925
Base-Backbone interact. energy: -0.533
local terms energy: -66.184440
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -112.387479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.387479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.387479 (E_RNA)
where:
Base-Base interactions energy: -40.616
where: short stacking energy: -35.797
Base-Backbone interact. energy: -1.394
local terms energy: -70.377113
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -317.303056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.303056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.303056 (E_RNA)
where:
Base-Base interactions energy: -208.376
where: short stacking energy: -101.470
Base-Backbone interact. energy: -0.421
local terms energy: -108.506086
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -30.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -286.255880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.255880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.255880 (E_RNA)
where:
Base-Base interactions energy: -180.914
where: short stacking energy: -88.406
Base-Backbone interact. energy: -0.372
local terms energy: -104.969317
where:
bonds (distance) C4'-P energy: -23.544
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -267.222147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.222147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.222147 (E_RNA)
where:
Base-Base interactions energy: -168.190
where: short stacking energy: -86.715
Base-Backbone interact. energy: 0.589
local terms energy: -99.621333
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -22.869
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: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -278.868974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.868974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.868974 (E_RNA)
where:
Base-Base interactions energy: -175.263
where: short stacking energy: -102.075
Base-Backbone interact. energy: -0.103
local terms energy: -103.502963
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: -33.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -256.064272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.064272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.064272 (E_RNA)
where:
Base-Base interactions energy: -153.200
where: short stacking energy: -82.289
Base-Backbone interact. energy: -0.289
local terms energy: -102.574672
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -20.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -253.570940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.570940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.570940 (E_RNA)
where:
Base-Base interactions energy: -159.243
where: short stacking energy: -84.548
Base-Backbone interact. energy: -0.191
local terms energy: -94.137259
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -21.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -160.973074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.973074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.973074 (E_RNA)
where:
Base-Base interactions energy: -80.180
where: short stacking energy: -53.476
Base-Backbone interact. energy: 0.600
local terms energy: -81.392950
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -24.069
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -8.771
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: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -140.227488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.227488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.227488 (E_RNA)
where:
Base-Base interactions energy: -64.436
where: short stacking energy: -46.440
Base-Backbone interact. energy: -0.136
local terms energy: -75.655669
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -7.199
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: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -115.949984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.949984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.949984 (E_RNA)
where:
Base-Base interactions energy: -46.526
where: short stacking energy: -41.484
Base-Backbone interact. energy: -0.029
local terms energy: -69.395121
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -101.621981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.621981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.621981 (E_RNA)
where:
Base-Base interactions energy: -33.352
where: short stacking energy: -32.902
Base-Backbone interact. energy: -0.256
local terms energy: -68.013890
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -273.632162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.632162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.632162 (E_RNA)
where:
Base-Base interactions energy: -173.455
where: short stacking energy: -83.914
Base-Backbone interact. energy: -0.156
local terms energy: -100.020524
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -21.975
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -316.994963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.994963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.994963 (E_RNA)
where:
Base-Base interactions energy: -204.397
where: short stacking energy: -105.667
Base-Backbone interact. energy: -0.117
local terms energy: -112.480978
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -25.075
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -32.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -274.691616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.691616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.691616 (E_RNA)
where:
Base-Base interactions energy: -165.888
where: short stacking energy: -89.857
Base-Backbone interact. energy: -0.005
local terms energy: -108.798932
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -269.274432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.274432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.274432 (E_RNA)
where:
Base-Base interactions energy: -162.224
where: short stacking energy: -85.594
Base-Backbone interact. energy: -0.227
local terms energy: -106.822799
where:
bonds (distance) C4'-P energy: -21.891
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -27.474
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: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -233.500929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.500929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.500929 (E_RNA)
where:
Base-Base interactions energy: -142.486
where: short stacking energy: -71.133
Base-Backbone interact. energy: -0.092
local terms energy: -90.922700
where:
bonds (distance) C4'-P energy: -21.666
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -18.100
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: 298
Temperature: 1.150000
Total energy: -228.190902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.190902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.190902 (E_RNA)
where:
Base-Base interactions energy: -130.263
where: short stacking energy: -63.900
Base-Backbone interact. energy: -0.006
local terms energy: -97.921724
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -23.263
flat angles P-C4'-P energy: -14.901
tors. eta vs tors. theta energy: -21.622
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: 298
Temperature: 1.200000
Total energy: -136.954056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.954056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.954056 (E_RNA)
where:
Base-Base interactions energy: -62.932
where: short stacking energy: -44.011
Base-Backbone interact. energy: -0.086
local terms energy: -73.936679
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -14.913
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: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -119.003924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.003924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.003924 (E_RNA)
where:
Base-Base interactions energy: -47.648
where: short stacking energy: -46.389
Base-Backbone interact. energy: 3.384
local terms energy: -74.739996
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -25.360
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -6.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -115.682752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.682752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.682752 (E_RNA)
where:
Base-Base interactions energy: -48.370
where: short stacking energy: -32.552
Base-Backbone interact. energy: -0.289
local terms energy: -67.024359
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -108.404261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.404261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.404261 (E_RNA)
where:
Base-Base interactions energy: -43.311
where: short stacking energy: -43.311
Base-Backbone interact. energy: 1.350
local terms energy: -66.443469
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -275.677502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.677502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.677502 (E_RNA)
where:
Base-Base interactions energy: -166.338
where: short stacking energy: -94.460
Base-Backbone interact. energy: -0.820
local terms energy: -108.519554
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -27.192
flat angles C4'-P-C4' energy: -26.304
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -22.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -321.903832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.903832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.903832 (E_RNA)
where:
Base-Base interactions energy: -201.251
where: short stacking energy: -108.011
Base-Backbone interact. energy: -0.185
local terms energy: -120.467500
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -26.309
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -32.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -278.222533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.222533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.222533 (E_RNA)
where:
Base-Base interactions energy: -174.907
where: short stacking energy: -98.290
Base-Backbone interact. energy: -0.034
local terms energy: -103.281556
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -28.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -265.327541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.327541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.327541 (E_RNA)
where:
Base-Base interactions energy: -156.234
where: short stacking energy: -92.552
Base-Backbone interact. energy: -0.728
local terms energy: -108.366242
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -21.952
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -22.284
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: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -262.029447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.029447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.029447 (E_RNA)
where:
Base-Base interactions energy: -166.647
where: short stacking energy: -88.130
Base-Backbone interact. energy: 1.133
local terms energy: -96.515494
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -24.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -226.335952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.335952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.335952 (E_RNA)
where:
Base-Base interactions energy: -135.956
where: short stacking energy: -69.308
Base-Backbone interact. energy: -0.012
local terms energy: -90.367788
where:
bonds (distance) C4'-P energy: -23.623
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -131.201449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.201449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.201449 (E_RNA)
where:
Base-Base interactions energy: -58.996
where: short stacking energy: -58.996
Base-Backbone interact. energy: -0.068
local terms energy: -72.137564
where:
bonds (distance) C4'-P energy: -22.109
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -123.725914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.725914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.725914 (E_RNA)
where:
Base-Base interactions energy: -55.941
where: short stacking energy: -55.941
Base-Backbone interact. energy: 1.640
local terms energy: -69.424627
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -9.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -108.177410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.177410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.177410 (E_RNA)
where:
Base-Base interactions energy: -33.279
where: short stacking energy: -33.279
Base-Backbone interact. energy: -0.308
local terms energy: -74.590135
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -8.410
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: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -93.065644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.065644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.065644 (E_RNA)
where:
Base-Base interactions energy: -21.572
where: short stacking energy: -22.272
Base-Backbone interact. energy: -0.170
local terms energy: -71.322800
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: 1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -331.592295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.592295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.592295 (E_RNA)
where:
Base-Base interactions energy: -210.611
where: short stacking energy: -114.252
Base-Backbone interact. energy: -0.044
local terms energy: -120.937871
where:
bonds (distance) C4'-P energy: -21.152
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -18.854
tors. eta vs tors. theta energy: -31.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -271.234150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.234150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.234150 (E_RNA)
where:
Base-Base interactions energy: -169.881
where: short stacking energy: -89.105
Base-Backbone interact. energy: 0.181
local terms energy: -101.534943
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -274.433682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.433682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.433682 (E_RNA)
where:
Base-Base interactions energy: -165.495
where: short stacking energy: -97.560
Base-Backbone interact. energy: -0.336
local terms energy: -108.601971
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -23.693
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -25.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -244.683108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.683108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.683108 (E_RNA)
where:
Base-Base interactions energy: -148.488
where: short stacking energy: -73.071
Base-Backbone interact. energy: 1.514
local terms energy: -97.708949
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -22.333
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -14.266
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: 5, replica: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -253.002633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.002633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.002633 (E_RNA)
where:
Base-Base interactions energy: -154.958
where: short stacking energy: -83.282
Base-Backbone interact. energy: -1.729
local terms energy: -96.315169
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -24.617
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: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -240.175084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.175084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.175084 (E_RNA)
where:
Base-Base interactions energy: -153.687
where: short stacking energy: -82.573
Base-Backbone interact. energy: -0.026
local terms energy: -86.462273
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -24.394
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -18.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -123.874334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.874334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.874334 (E_RNA)
where:
Base-Base interactions energy: -45.639
where: short stacking energy: -44.279
Base-Backbone interact. energy: -0.215
local terms energy: -78.020791
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -127.543573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.543573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.543573 (E_RNA)
where:
Base-Base interactions energy: -56.598
where: short stacking energy: -48.711
Base-Backbone interact. energy: -0.918
local terms energy: -70.027341
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -117.537999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.537999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.537999 (E_RNA)
where:
Base-Base interactions energy: -50.486
where: short stacking energy: -31.371
Base-Backbone interact. energy: -0.141
local terms energy: -66.911548
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: 5.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -101.932329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.932329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.932329 (E_RNA)
where:
Base-Base interactions energy: -37.070
where: short stacking energy: -37.070
Base-Backbone interact. energy: -0.181
local terms energy: -64.680562
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -317.660922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.660922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.660922 (E_RNA)
where:
Base-Base interactions energy: -206.422
where: short stacking energy: -107.922
Base-Backbone interact. energy: 0.393
local terms energy: -111.630979
where:
bonds (distance) C4'-P energy: -23.166
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -25.652
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -31.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -265.113730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.113730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.113730 (E_RNA)
where:
Base-Base interactions energy: -162.171
where: short stacking energy: -87.841
Base-Backbone interact. energy: -0.711
local terms energy: -102.232121
where:
bonds (distance) C4'-P energy: -23.549
bonds (distance) P-C4' energy: -24.176
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -24.310
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: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -262.027776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.027776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.027776 (E_RNA)
where:
Base-Base interactions energy: -159.982
where: short stacking energy: -82.111
Base-Backbone interact. energy: -0.274
local terms energy: -101.772169
where:
bonds (distance) C4'-P energy: -24.414
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -23.672
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -251.120371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.120371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.120371 (E_RNA)
where:
Base-Base interactions energy: -164.183
where: short stacking energy: -77.751
Base-Backbone interact. energy: -0.496
local terms energy: -86.441502
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -226.224157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.224157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.224157 (E_RNA)
where:
Base-Base interactions energy: -133.326
where: short stacking energy: -73.416
Base-Backbone interact. energy: -0.293
local terms energy: -92.604734
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -11.700
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: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -242.342471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.342471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.342471 (E_RNA)
where:
Base-Base interactions energy: -144.673
where: short stacking energy: -82.298
Base-Backbone interact. energy: -0.017
local terms energy: -97.652490
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -22.590
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -20.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -138.148394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.148394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.148394 (E_RNA)
where:
Base-Base interactions energy: -64.649
where: short stacking energy: -60.549
Base-Backbone interact. energy: 2.104
local terms energy: -75.603273
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -8.920
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: 301
Temperature: 1.250000
Total energy: -118.734643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.734643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.734643 (E_RNA)
where:
Base-Base interactions energy: -46.132
where: short stacking energy: -45.734
Base-Backbone interact. energy: -0.288
local terms energy: -72.314826
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -21.981
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -11.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -122.319296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.319296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.319296 (E_RNA)
where:
Base-Base interactions energy: -41.094
where: short stacking energy: -38.205
Base-Backbone interact. energy: -0.423
local terms energy: -80.803213
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -12.060
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: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -101.417443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.417443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.417443 (E_RNA)
where:
Base-Base interactions energy: -38.135
where: short stacking energy: -33.574
Base-Backbone interact. energy: 0.716
local terms energy: -63.998868
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -10.302
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: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -323.874225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.874225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.874225 (E_RNA)
where:
Base-Base interactions energy: -207.743
where: short stacking energy: -110.946
Base-Backbone interact. energy: 0.123
local terms energy: -116.254022
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -24.255
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -31.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -287.443052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.443052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.443052 (E_RNA)
where:
Base-Base interactions energy: -184.733
where: short stacking energy: -99.158
Base-Backbone interact. energy: -0.832
local terms energy: -101.877605
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -29.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -286.777609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.777609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.777609 (E_RNA)
where:
Base-Base interactions energy: -164.215
where: short stacking energy: -99.569
Base-Backbone interact. energy: -0.065
local terms energy: -122.497515
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -33.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -235.228095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.228095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.228095 (E_RNA)
where:
Base-Base interactions energy: -139.584
where: short stacking energy: -68.596
Base-Backbone interact. energy: -0.336
local terms energy: -95.307510
where:
bonds (distance) C4'-P energy: -23.494
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -228.547778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.547778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.547778 (E_RNA)
where:
Base-Base interactions energy: -139.617
where: short stacking energy: -74.998
Base-Backbone interact. energy: -0.147
local terms energy: -88.783277
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -18.155
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: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -233.364657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.364657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.364657 (E_RNA)
where:
Base-Base interactions energy: -136.132
where: short stacking energy: -72.071
Base-Backbone interact. energy: -0.134
local terms energy: -97.098412
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -161.373865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.373865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.373865 (E_RNA)
where:
Base-Base interactions energy: -77.133
where: short stacking energy: -53.657
Base-Backbone interact. energy: -0.254
local terms energy: -83.987522
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -24.408
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -13.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -114.705739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.705739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.705739 (E_RNA)
where:
Base-Base interactions energy: -50.283
where: short stacking energy: -40.535
Base-Backbone interact. energy: -0.288
local terms energy: -64.134482
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -3.924
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: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -115.525661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.525661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.525661 (E_RNA)
where:
Base-Base interactions energy: -59.465
where: short stacking energy: -34.408
Base-Backbone interact. energy: -0.187
local terms energy: -55.874002
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -1.200
tors. eta vs tors. theta energy: 0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -116.428743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.428743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.428743 (E_RNA)
where:
Base-Base interactions energy: -39.885
where: short stacking energy: -23.478
Base-Backbone interact. energy: -0.678
local terms energy: -75.865660
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -322.600510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.600510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.600510 (E_RNA)
where:
Base-Base interactions energy: -205.261
where: short stacking energy: -104.010
Base-Backbone interact. energy: -0.228
local terms energy: -117.111237
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -25.550
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -30.437
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: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -293.556072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.556072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.556072 (E_RNA)
where:
Base-Base interactions energy: -173.984
where: short stacking energy: -95.857
Base-Backbone interact. energy: -0.023
local terms energy: -119.548945
where:
bonds (distance) C4'-P energy: -23.333
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -32.016
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: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -261.647045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.647045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.647045 (E_RNA)
where:
Base-Base interactions energy: -161.388
where: short stacking energy: -90.744
Base-Backbone interact. energy: -0.174
local terms energy: -100.084911
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -20.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -261.473365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.473365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.473365 (E_RNA)
where:
Base-Base interactions energy: -158.417
where: short stacking energy: -95.580
Base-Backbone interact. energy: -0.221
local terms energy: -102.835357
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -23.341
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -27.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -232.559084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.559084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.559084 (E_RNA)
where:
Base-Base interactions energy: -147.936
where: short stacking energy: -67.855
Base-Backbone interact. energy: -0.405
local terms energy: -84.217933
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -224.957753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.957753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.957753 (E_RNA)
where:
Base-Base interactions energy: -137.463
where: short stacking energy: -71.589
Base-Backbone interact. energy: -0.189
local terms energy: -87.306134
where:
bonds (distance) C4'-P energy: -23.453
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -144.285393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.285393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.285393 (E_RNA)
where:
Base-Base interactions energy: -67.848
where: short stacking energy: -59.028
Base-Backbone interact. energy: -0.263
local terms energy: -76.175145
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -10.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -114.450558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.450558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.450558 (E_RNA)
where:
Base-Base interactions energy: -36.693
where: short stacking energy: -32.674
Base-Backbone interact. energy: -0.352
local terms energy: -77.405723
where:
bonds (distance) C4'-P energy: -21.571
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -11.174
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: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -117.885410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.885410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.885410 (E_RNA)
where:
Base-Base interactions energy: -43.857
where: short stacking energy: -43.382
Base-Backbone interact. energy: -0.354
local terms energy: -73.673873
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -8.626
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: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -97.855579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.855579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.855579 (E_RNA)
where:
Base-Base interactions energy: -29.692
where: short stacking energy: -28.158
Base-Backbone interact. energy: -0.494
local terms energy: -67.669579
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: 1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -321.905359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.905359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.905359 (E_RNA)
where:
Base-Base interactions energy: -201.556
where: short stacking energy: -100.993
Base-Backbone interact. energy: -0.225
local terms energy: -120.124208
where:
bonds (distance) C4'-P energy: -22.154
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -24.954
flat angles P-C4'-P energy: -19.595
tors. eta vs tors. theta energy: -30.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -278.844299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.844299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.844299 (E_RNA)
where:
Base-Base interactions energy: -171.699
where: short stacking energy: -93.957
Base-Backbone interact. energy: -0.074
local terms energy: -107.071639
where:
bonds (distance) C4'-P energy: -24.795
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -25.379
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: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -278.524576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.524576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.524576 (E_RNA)
where:
Base-Base interactions energy: -169.952
where: short stacking energy: -91.416
Base-Backbone interact. energy: -0.036
local terms energy: -108.536752
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -24.401
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: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -267.384725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.384725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.384725 (E_RNA)
where:
Base-Base interactions energy: -160.844
where: short stacking energy: -89.417
Base-Backbone interact. energy: -0.070
local terms energy: -106.471178
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -234.429630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.429630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.429630 (E_RNA)
where:
Base-Base interactions energy: -143.437
where: short stacking energy: -65.151
Base-Backbone interact. energy: -0.772
local terms energy: -90.220779
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -22.078
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -10.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -191.889698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.889698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.889698 (E_RNA)
where:
Base-Base interactions energy: -110.086
where: short stacking energy: -59.044
Base-Backbone interact. energy: 0.458
local terms energy: -82.262217
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -12.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -133.195449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.195449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.195449 (E_RNA)
where:
Base-Base interactions energy: -60.376
where: short stacking energy: -44.553
Base-Backbone interact. energy: -0.311
local terms energy: -72.508392
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -127.020351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.020351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.020351 (E_RNA)
where:
Base-Base interactions energy: -46.652
where: short stacking energy: -42.967
Base-Backbone interact. energy: -0.162
local terms energy: -80.206440
where:
bonds (distance) C4'-P energy: -21.972
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -105.425957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.425957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.425957 (E_RNA)
where:
Base-Base interactions energy: -38.093
where: short stacking energy: -35.986
Base-Backbone interact. energy: 0.087
local terms energy: -67.419835
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -113.254172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.254172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.254172 (E_RNA)
where:
Base-Base interactions energy: -39.028
where: short stacking energy: -38.040
Base-Backbone interact. energy: -0.328
local terms energy: -73.897992
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -8.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -331.405373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.405373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.405373 (E_RNA)
where:
Base-Base interactions energy: -212.846
where: short stacking energy: -113.332
Base-Backbone interact. energy: -0.092
local terms energy: -118.466547
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -33.127
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: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -272.307154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.307154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.307154 (E_RNA)
where:
Base-Base interactions energy: -166.512
where: short stacking energy: -100.436
Base-Backbone interact. energy: -0.038
local terms energy: -105.757264
where:
bonds (distance) C4'-P energy: -22.734
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -25.883
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: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -267.633424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.633424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.633424 (E_RNA)
where:
Base-Base interactions energy: -170.997
where: short stacking energy: -87.903
Base-Backbone interact. energy: -0.277
local terms energy: -96.358933
where:
bonds (distance) C4'-P energy: -24.711
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -276.092536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.092536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.092536 (E_RNA)
where:
Base-Base interactions energy: -174.151
where: short stacking energy: -95.555
Base-Backbone interact. energy: -0.052
local terms energy: -101.889609
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -25.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -251.611512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.611512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.611512 (E_RNA)
where:
Base-Base interactions energy: -154.310
where: short stacking energy: -84.238
Base-Backbone interact. energy: -0.174
local terms energy: -97.127093
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -128.221626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.221626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.221626 (E_RNA)
where:
Base-Base interactions energy: -60.128
where: short stacking energy: -54.727
Base-Backbone interact. energy: 1.505
local terms energy: -69.598328
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -160.155900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.155900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.155900 (E_RNA)
where:
Base-Base interactions energy: -80.270
where: short stacking energy: -44.520
Base-Backbone interact. energy: -1.465
local terms energy: -78.420943
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -20.349
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -133.613673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.613673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.613673 (E_RNA)
where:
Base-Base interactions energy: -52.451
where: short stacking energy: -46.016
Base-Backbone interact. energy: -0.882
local terms energy: -80.280382
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -9.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -110.072335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.072335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.072335 (E_RNA)
where:
Base-Base interactions energy: -50.740
where: short stacking energy: -48.773
Base-Backbone interact. energy: -0.301
local terms energy: -59.031445
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -9.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -105.655440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.655440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.655440 (E_RNA)
where:
Base-Base interactions energy: -40.213
where: short stacking energy: -40.213
Base-Backbone interact. energy: 1.761
local terms energy: -67.203867
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -23.364
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: 0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -319.928382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.928382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.928382 (E_RNA)
where:
Base-Base interactions energy: -204.461
where: short stacking energy: -112.589
Base-Backbone interact. energy: -0.138
local terms energy: -115.329076
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -31.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -261.985253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.985253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.985253 (E_RNA)
where:
Base-Base interactions energy: -152.887
where: short stacking energy: -84.984
Base-Backbone interact. energy: -0.379
local terms energy: -108.719364
where:
bonds (distance) C4'-P energy: -24.075
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -24.363
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -266.956721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.956721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.956721 (E_RNA)
where:
Base-Base interactions energy: -163.281
where: short stacking energy: -77.851
Base-Backbone interact. energy: -0.145
local terms energy: -103.530294
where:
bonds (distance) C4'-P energy: -24.502
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -21.176
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: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -238.415101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.415101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.415101 (E_RNA)
where:
Base-Base interactions energy: -141.886
where: short stacking energy: -81.085
Base-Backbone interact. energy: -1.854
local terms energy: -94.675494
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -18.632
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: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -247.384997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.384997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.384997 (E_RNA)
where:
Base-Base interactions energy: -146.992
where: short stacking energy: -80.611
Base-Backbone interact. energy: 0.620
local terms energy: -101.013022
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -24.262
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -19.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -133.947050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.947050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.947050 (E_RNA)
where:
Base-Base interactions energy: -59.224
where: short stacking energy: -60.443
Base-Backbone interact. energy: 1.553
local terms energy: -76.276050
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -11.823
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: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -153.632557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.632557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.632557 (E_RNA)
where:
Base-Base interactions energy: -67.825
where: short stacking energy: -57.054
Base-Backbone interact. energy: -0.094
local terms energy: -85.712802
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -10.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -120.401700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.401700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.401700 (E_RNA)
where:
Base-Base interactions energy: -42.160
where: short stacking energy: -37.764
Base-Backbone interact. energy: -0.937
local terms energy: -77.305461
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -124.478762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.478762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.478762 (E_RNA)
where:
Base-Base interactions energy: -50.960
where: short stacking energy: -49.011
Base-Backbone interact. energy: -0.465
local terms energy: -73.053091
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -8.392
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: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -102.639483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.639483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.639483 (E_RNA)
where:
Base-Base interactions energy: -35.220
where: short stacking energy: -35.220
Base-Backbone interact. energy: -0.379
local terms energy: -67.040489
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: 1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -323.092578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.092578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.092578 (E_RNA)
where:
Base-Base interactions energy: -209.200
where: short stacking energy: -106.123
Base-Backbone interact. energy: -0.151
local terms energy: -113.741262
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -33.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -289.327457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.327457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.327457 (E_RNA)
where:
Base-Base interactions energy: -184.290
where: short stacking energy: -117.399
Base-Backbone interact. energy: 0.101
local terms energy: -105.139045
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -25.380
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -28.863
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: 307
Temperature: 1.000000
Total energy: -268.776486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.776486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.776486 (E_RNA)
where:
Base-Base interactions energy: -168.925
where: short stacking energy: -91.491
Base-Backbone interact. energy: -0.472
local terms energy: -99.379922
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -24.820
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -25.601
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: 307
Temperature: 1.050000
Total energy: -261.062055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.062055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.062055 (E_RNA)
where:
Base-Base interactions energy: -162.416
where: short stacking energy: -75.746
Base-Backbone interact. energy: -0.114
local terms energy: -98.532110
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -23.131
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -247.298960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.298960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.298960 (E_RNA)
where:
Base-Base interactions energy: -142.738
where: short stacking energy: -79.637
Base-Backbone interact. energy: -0.210
local terms energy: -104.350506
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -25.538
flat angles C4'-P-C4' energy: -22.970
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -21.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -143.720171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.720171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.720171 (E_RNA)
where:
Base-Base interactions energy: -68.774
where: short stacking energy: -52.636
Base-Backbone interact. energy: 0.696
local terms energy: -75.641701
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -19.859
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -10.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -145.445275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.445275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.445275 (E_RNA)
where:
Base-Base interactions energy: -62.819
where: short stacking energy: -43.553
Base-Backbone interact. energy: -0.167
local terms energy: -82.459456
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -14.796
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: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -123.937038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.937038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.937038 (E_RNA)
where:
Base-Base interactions energy: -44.470
where: short stacking energy: -39.495
Base-Backbone interact. energy: -0.204
local terms energy: -79.262554
where:
bonds (distance) C4'-P energy: -22.352
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: -0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -116.982351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.982351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.982351 (E_RNA)
where:
Base-Base interactions energy: -39.364
where: short stacking energy: -38.120
Base-Backbone interact. energy: -0.110
local terms energy: -77.508212
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -11.577
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: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -105.223825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.223825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.223825 (E_RNA)
where:
Base-Base interactions energy: -29.214
where: short stacking energy: -29.214
Base-Backbone interact. energy: -0.211
local terms energy: -75.798273
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -331.963824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.963824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.963824 (E_RNA)
where:
Base-Base interactions energy: -218.811
where: short stacking energy: -105.039
Base-Backbone interact. energy: -0.695
local terms energy: -112.458128
where:
bonds (distance) C4'-P energy: -21.557
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -23.886
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -29.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -279.462161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.462161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.462161 (E_RNA)
where:
Base-Base interactions energy: -168.523
where: short stacking energy: -102.946
Base-Backbone interact. energy: -0.126
local terms energy: -110.813560
where:
bonds (distance) C4'-P energy: -21.364
bonds (distance) P-C4' energy: -22.540
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -28.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -269.504093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.504093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.504093 (E_RNA)
where:
Base-Base interactions energy: -171.150
where: short stacking energy: -89.001
Base-Backbone interact. energy: -0.383
local terms energy: -97.971017
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -24.347
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -21.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -255.006481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.006481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.006481 (E_RNA)
where:
Base-Base interactions energy: -160.008
where: short stacking energy: -84.958
Base-Backbone interact. energy: 0.287
local terms energy: -95.285448
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -253.045588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.045588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.045588 (E_RNA)
where:
Base-Base interactions energy: -149.834
where: short stacking energy: -86.659
Base-Backbone interact. energy: -1.411
local terms energy: -101.799837
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -153.199782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.199782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.199782 (E_RNA)
where:
Base-Base interactions energy: -66.454
where: short stacking energy: -45.467
Base-Backbone interact. energy: -0.208
local terms energy: -86.537439
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -23.639
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -8.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -139.868668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.868668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.868668 (E_RNA)
where:
Base-Base interactions energy: -61.138
where: short stacking energy: -54.220
Base-Backbone interact. energy: 0.079
local terms energy: -78.809913
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -140.252397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.252397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.252397 (E_RNA)
where:
Base-Base interactions energy: -56.443
where: short stacking energy: -56.235
Base-Backbone interact. energy: -0.766
local terms energy: -83.043052
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -17.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -119.241633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.241633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.241633 (E_RNA)
where:
Base-Base interactions energy: -58.897
where: short stacking energy: -49.797
Base-Backbone interact. energy: -0.250
local terms energy: -60.094979
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -10.068
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: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -106.192506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.192506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.192506 (E_RNA)
where:
Base-Base interactions energy: -37.198
where: short stacking energy: -37.998
Base-Backbone interact. energy: -0.345
local terms energy: -68.649193
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -5.449
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: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -322.849365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.849365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.849365 (E_RNA)
where:
Base-Base interactions energy: -205.214
where: short stacking energy: -107.319
Base-Backbone interact. energy: -0.125
local terms energy: -117.509852
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -24.549
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -31.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -283.869769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.869769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.869769 (E_RNA)
where:
Base-Base interactions energy: -174.851
where: short stacking energy: -104.270
Base-Backbone interact. energy: -0.397
local terms energy: -108.621440
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -19.860
flat angles C4'-P-C4' energy: -22.831
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -28.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -248.141886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.141886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.141886 (E_RNA)
where:
Base-Base interactions energy: -147.584
where: short stacking energy: -76.448
Base-Backbone interact. energy: -0.228
local terms energy: -100.330014
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -246.267967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.267967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.267967 (E_RNA)
where:
Base-Base interactions energy: -153.502
where: short stacking energy: -87.759
Base-Backbone interact. energy: -0.175
local terms energy: -92.590779
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -19.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -249.060278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.060278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.060278 (E_RNA)
where:
Base-Base interactions energy: -147.550
where: short stacking energy: -78.490
Base-Backbone interact. energy: -0.009
local terms energy: -101.500800
where:
bonds (distance) C4'-P energy: -24.112
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -21.433
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -152.126497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.126497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.126497 (E_RNA)
where:
Base-Base interactions energy: -79.661
where: short stacking energy: -34.572
Base-Backbone interact. energy: 0.984
local terms energy: -73.449323
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -12.122
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: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -151.734769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.734769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.734769 (E_RNA)
where:
Base-Base interactions energy: -83.890
where: short stacking energy: -50.388
Base-Backbone interact. energy: -0.702
local terms energy: -67.142716
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -122.159787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.159787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.159787 (E_RNA)
where:
Base-Base interactions energy: -45.612
where: short stacking energy: -42.665
Base-Backbone interact. energy: -0.256
local terms energy: -76.291577
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -108.827224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.827224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.827224 (E_RNA)
where:
Base-Base interactions energy: -33.434
where: short stacking energy: -33.434
Base-Backbone interact. energy: 0.139
local terms energy: -75.532035
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -95.438342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.438342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.438342 (E_RNA)
where:
Base-Base interactions energy: -35.618
where: short stacking energy: -31.506
Base-Backbone interact. energy: -0.227
local terms energy: -59.593104
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -304.153034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.153034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.153034 (E_RNA)
where:
Base-Base interactions energy: -193.395
where: short stacking energy: -101.579
Base-Backbone interact. energy: -0.800
local terms energy: -109.957727
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -24.474
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -25.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -284.193890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.193890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.193890 (E_RNA)
where:
Base-Base interactions energy: -171.804
where: short stacking energy: -102.205
Base-Backbone interact. energy: -0.686
local terms energy: -111.703388
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -28.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -272.406844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.406844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.406844 (E_RNA)
where:
Base-Base interactions energy: -166.561
where: short stacking energy: -92.245
Base-Backbone interact. energy: -0.242
local terms energy: -105.603031
where:
bonds (distance) C4'-P energy: -27.308
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -24.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -257.215367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.215367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.215367 (E_RNA)
where:
Base-Base interactions energy: -163.936
where: short stacking energy: -89.325
Base-Backbone interact. energy: 1.172
local terms energy: -94.451759
where:
bonds (distance) C4'-P energy: -24.824
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -243.153869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.153869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.153869 (E_RNA)
where:
Base-Base interactions energy: -145.454
where: short stacking energy: -68.844
Base-Backbone interact. energy: -0.287
local terms energy: -97.412687
where:
bonds (distance) C4'-P energy: -22.556
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -163.895633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.895633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.895633 (E_RNA)
where:
Base-Base interactions energy: -71.272
where: short stacking energy: -45.103
Base-Backbone interact. energy: -1.012
local terms energy: -91.611621
where:
bonds (distance) C4'-P energy: -24.260
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -23.754
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -149.244212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.244212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.244212 (E_RNA)
where:
Base-Base interactions energy: -67.133
where: short stacking energy: -56.240
Base-Backbone interact. energy: -0.019
local terms energy: -82.092427
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -10.338
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: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -122.250657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.250657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.250657 (E_RNA)
where:
Base-Base interactions energy: -50.545
where: short stacking energy: -50.545
Base-Backbone interact. energy: -0.072
local terms energy: -71.633645
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -164.489349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.489349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.489349 (E_RNA)
where:
Base-Base interactions energy: -90.029
where: short stacking energy: -54.351
Base-Backbone interact. energy: 1.243
local terms energy: -75.703994
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -5.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -110.933328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.933328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.933328 (E_RNA)
where:
Base-Base interactions energy: -29.795
where: short stacking energy: -29.795
Base-Backbone interact. energy: -1.864
local terms energy: -79.274598
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -15.007
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: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -303.822649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.822649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.822649 (E_RNA)
where:
Base-Base interactions energy: -183.372
where: short stacking energy: -101.714
Base-Backbone interact. energy: -0.037
local terms energy: -120.413815
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -23.369
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -34.187
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: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -276.038988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.038988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.038988 (E_RNA)
where:
Base-Base interactions energy: -167.788
where: short stacking energy: -98.133
Base-Backbone interact. energy: -0.003
local terms energy: -108.247911
where:
bonds (distance) C4'-P energy: -21.732
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -25.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -291.924020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.924020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.924020 (E_RNA)
where:
Base-Base interactions energy: -172.358
where: short stacking energy: -96.573
Base-Backbone interact. energy: -0.218
local terms energy: -119.347557
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -25.127
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -17.846
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: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -244.717881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.717881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.717881 (E_RNA)
where:
Base-Base interactions energy: -144.921
where: short stacking energy: -75.945
Base-Backbone interact. energy: -0.146
local terms energy: -99.650272
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -249.862078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.862078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.862078 (E_RNA)
where:
Base-Base interactions energy: -153.056
where: short stacking energy: -76.111
Base-Backbone interact. energy: -0.008
local terms energy: -96.798182
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -19.765
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -152.785067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.785067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.785067 (E_RNA)
where:
Base-Base interactions energy: -63.326
where: short stacking energy: -40.226
Base-Backbone interact. energy: -0.368
local terms energy: -89.091142
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -22.804
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -17.494
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -125.193916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.193916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.193916 (E_RNA)
where:
Base-Base interactions energy: -42.858
where: short stacking energy: -41.279
Base-Backbone interact. energy: 1.340
local terms energy: -83.675186
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -16.601
tors. eta vs tors. theta energy: -8.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -128.293893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.293893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.293893 (E_RNA)
where:
Base-Base interactions energy: -53.695
where: short stacking energy: -50.745
Base-Backbone interact. energy: -0.137
local terms energy: -74.462065
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -117.163697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.163697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.163697 (E_RNA)
where:
Base-Base interactions energy: -47.496
where: short stacking energy: -27.394
Base-Backbone interact. energy: -0.689
local terms energy: -68.978556
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -106.240655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.240655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.240655 (E_RNA)
where:
Base-Base interactions energy: -35.937
where: short stacking energy: -32.053
Base-Backbone interact. energy: 0.010
local terms energy: -70.313354
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -14.358
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: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -306.391063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.391063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.391063 (E_RNA)
where:
Base-Base interactions energy: -190.161
where: short stacking energy: -108.484
Base-Backbone interact. energy: -1.600
local terms energy: -114.630284
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -27.145
flat angles P-C4'-P energy: -17.313
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: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -286.482448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.482448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.482448 (E_RNA)
where:
Base-Base interactions energy: -176.175
where: short stacking energy: -93.435
Base-Backbone interact. energy: -0.029
local terms energy: -110.277911
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -26.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -250.592073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.592073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.592073 (E_RNA)
where:
Base-Base interactions energy: -159.119
where: short stacking energy: -79.323
Base-Backbone interact. energy: -0.190
local terms energy: -91.283017
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -18.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -250.547615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.547615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.547615 (E_RNA)
where:
Base-Base interactions energy: -155.522
where: short stacking energy: -72.301
Base-Backbone interact. energy: -0.168
local terms energy: -94.858517
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -17.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -260.512515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.512515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.512515 (E_RNA)
where:
Base-Base interactions energy: -160.067
where: short stacking energy: -82.200
Base-Backbone interact. energy: -0.065
local terms energy: -100.380682
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -16.396
tors. eta vs tors. theta energy: -21.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -139.454732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.454732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.454732 (E_RNA)
where:
Base-Base interactions energy: -61.909
where: short stacking energy: -61.909
Base-Backbone interact. energy: 0.420
local terms energy: -77.966010
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -12.283
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: 7, replica: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -139.361253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.361253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.361253 (E_RNA)
where:
Base-Base interactions energy: -45.288
where: short stacking energy: -40.991
Base-Backbone interact. energy: -0.164
local terms energy: -93.909057
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -25.090
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -11.922
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: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -117.300428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.300428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.300428 (E_RNA)
where:
Base-Base interactions energy: -37.564
where: short stacking energy: -26.165
Base-Backbone interact. energy: -0.636
local terms energy: -79.100480
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -110.786550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.786550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.786550 (E_RNA)
where:
Base-Base interactions energy: -24.001
where: short stacking energy: -24.001
Base-Backbone interact. energy: 0.370
local terms energy: -87.155429
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -25.441
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -5.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -104.877138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.877138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.877138 (E_RNA)
where:
Base-Base interactions energy: -38.692
where: short stacking energy: -38.692
Base-Backbone interact. energy: -0.473
local terms energy: -65.712033
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -307.562187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.562187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.562187 (E_RNA)
where:
Base-Base interactions energy: -194.908
where: short stacking energy: -108.165
Base-Backbone interact. energy: 0.211
local terms energy: -112.864672
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -17.977
tors. eta vs tors. theta energy: -26.195
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: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -282.169983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.169983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.169983 (E_RNA)
where:
Base-Base interactions energy: -165.075
where: short stacking energy: -87.673
Base-Backbone interact. energy: -0.258
local terms energy: -116.836693
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -25.745
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -24.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -254.998116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.998116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.998116 (E_RNA)
where:
Base-Base interactions energy: -149.779
where: short stacking energy: -78.062
Base-Backbone interact. energy: -0.700
local terms energy: -104.518954
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -24.098
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -21.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -278.870477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.870477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.870477 (E_RNA)
where:
Base-Base interactions energy: -160.741
where: short stacking energy: -91.604
Base-Backbone interact. energy: -0.071
local terms energy: -118.058324
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -27.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -277.644100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.644100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.644100 (E_RNA)
where:
Base-Base interactions energy: -170.626
where: short stacking energy: -100.053
Base-Backbone interact. energy: -0.041
local terms energy: -106.977400
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -30.630
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: 313
Temperature: 1.150000
Total energy: -129.994827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.994827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.994827 (E_RNA)
where:
Base-Base interactions energy: -61.875
where: short stacking energy: -47.144
Base-Backbone interact. energy: -0.180
local terms energy: -67.939942
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -126.719881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.719881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.719881 (E_RNA)
where:
Base-Base interactions energy: -41.116
where: short stacking energy: -41.116
Base-Backbone interact. energy: -0.548
local terms energy: -85.055824
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -21.675
flat angles P-C4'-P energy: -13.669
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: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -112.907038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.907038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.907038 (E_RNA)
where:
Base-Base interactions energy: -44.592
where: short stacking energy: -44.592
Base-Backbone interact. energy: -0.451
local terms energy: -67.864133
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: 0.630
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: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -122.653423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.653423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.653423 (E_RNA)
where:
Base-Base interactions energy: -49.967
where: short stacking energy: -44.881
Base-Backbone interact. energy: -0.310
local terms energy: -72.376583
where:
bonds (distance) C4'-P energy: -26.064
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -8.286
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: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -107.505649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.505649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.505649 (E_RNA)
where:
Base-Base interactions energy: -30.611
where: short stacking energy: -30.611
Base-Backbone interact. energy: 0.658
local terms energy: -77.552573
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -21.963
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -308.661185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.661185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.661185 (E_RNA)
where:
Base-Base interactions energy: -199.198
where: short stacking energy: -103.315
Base-Backbone interact. energy: -0.259
local terms energy: -109.204562
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -21.518
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: -29.349
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: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -277.951168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.951168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.951168 (E_RNA)
where:
Base-Base interactions energy: -167.645
where: short stacking energy: -86.716
Base-Backbone interact. energy: -0.384
local terms energy: -109.922007
where:
bonds (distance) C4'-P energy: -25.296
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -24.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -271.550825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.550825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.550825 (E_RNA)
where:
Base-Base interactions energy: -163.632
where: short stacking energy: -92.927
Base-Backbone interact. energy: -0.084
local terms energy: -107.833938
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -22.617
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -29.263
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: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -284.217563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.217563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.217563 (E_RNA)
where:
Base-Base interactions energy: -170.976
where: short stacking energy: -92.598
Base-Backbone interact. energy: -1.226
local terms energy: -112.015564
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -29.027
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: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -246.032105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.032105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.032105 (E_RNA)
where:
Base-Base interactions energy: -143.102
where: short stacking energy: -77.413
Base-Backbone interact. energy: -0.035
local terms energy: -102.894872
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -122.797156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.797156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.797156 (E_RNA)
where:
Base-Base interactions energy: -41.260
where: short stacking energy: -40.996
Base-Backbone interact. energy: -0.163
local terms energy: -81.373619
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -8.571
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: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -144.364451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.364451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.364451 (E_RNA)
where:
Base-Base interactions energy: -50.527
where: short stacking energy: -50.527
Base-Backbone interact. energy: -0.201
local terms energy: -93.636565
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -24.426
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -13.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -112.399837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.399837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.399837 (E_RNA)
where:
Base-Base interactions energy: -36.971
where: short stacking energy: -36.499
Base-Backbone interact. energy: 0.068
local terms energy: -75.497292
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -5.371
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: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -125.850290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.850290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.850290 (E_RNA)
where:
Base-Base interactions energy: -50.883
where: short stacking energy: -39.916
Base-Backbone interact. energy: -0.933
local terms energy: -74.034895
where:
bonds (distance) C4'-P energy: -22.381
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -7.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -102.244584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.244584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.244584 (E_RNA)
where:
Base-Base interactions energy: -28.480
where: short stacking energy: -26.839
Base-Backbone interact. energy: -0.169
local terms energy: -73.595715
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: 4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -327.125141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.125141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.125141 (E_RNA)
where:
Base-Base interactions energy: -207.091
where: short stacking energy: -102.614
Base-Backbone interact. energy: -0.605
local terms energy: -119.428995
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -25.633
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -30.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -301.722104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.722104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.722104 (E_RNA)
where:
Base-Base interactions energy: -183.564
where: short stacking energy: -109.784
Base-Backbone interact. energy: -0.016
local terms energy: -118.141735
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -25.009
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -17.762
tors. eta vs tors. theta energy: -33.211
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: 3, replica: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -286.056958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.056958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.056958 (E_RNA)
where:
Base-Base interactions energy: -171.907
where: short stacking energy: -87.741
Base-Backbone interact. energy: -0.431
local terms energy: -113.718928
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -26.805
flat angles C4'-P-C4' energy: -25.138
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -29.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -283.309591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.309591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.309591 (E_RNA)
where:
Base-Base interactions energy: -176.067
where: short stacking energy: -91.252
Base-Backbone interact. energy: -0.177
local terms energy: -107.065670
where:
bonds (distance) C4'-P energy: -24.598
bonds (distance) P-C4' energy: -24.103
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -24.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -244.667095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.667095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.667095 (E_RNA)
where:
Base-Base interactions energy: -150.311
where: short stacking energy: -83.974
Base-Backbone interact. energy: -0.067
local terms energy: -94.290006
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -23.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -128.285607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.285607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.285607 (E_RNA)
where:
Base-Base interactions energy: -56.749
where: short stacking energy: -52.664
Base-Backbone interact. energy: 0.695
local terms energy: -72.230926
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -127.332935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.332935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.332935 (E_RNA)
where:
Base-Base interactions energy: -45.453
where: short stacking energy: -39.292
Base-Backbone interact. energy: -0.209
local terms energy: -81.670916
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -23.829
flat angles P-C4'-P energy: -14.940
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: 8, replica: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -118.545058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.545058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.545058 (E_RNA)
where:
Base-Base interactions energy: -50.421
where: short stacking energy: -48.320
Base-Backbone interact. energy: -0.111
local terms energy: -68.012919
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -11.207
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: 9, replica: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -137.856213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.856213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.856213 (E_RNA)
where:
Base-Base interactions energy: -63.832
where: short stacking energy: -60.562
Base-Backbone interact. energy: -0.069
local terms energy: -73.954521
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -21.754
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -4.320
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -107.706833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.706833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.706833 (E_RNA)
where:
Base-Base interactions energy: -42.089
where: short stacking energy: -37.441
Base-Backbone interact. energy: -0.376
local terms energy: -65.241332
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -307.117113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.117113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.117113 (E_RNA)
where:
Base-Base interactions energy: -185.301
where: short stacking energy: -107.544
Base-Backbone interact. energy: -0.685
local terms energy: -121.131150
where:
bonds (distance) C4'-P energy: -22.199
bonds (distance) P-C4' energy: -22.454
flat angles C4'-P-C4' energy: -24.227
flat angles P-C4'-P energy: -19.683
tors. eta vs tors. theta energy: -32.568
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: 316
Temperature: 0.950000
Total energy: -304.591425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.591425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.591425 (E_RNA)
where:
Base-Base interactions energy: -192.256
where: short stacking energy: -89.710
Base-Backbone interact. energy: -0.179
local terms energy: -112.156571
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -25.150
flat angles P-C4'-P energy: -16.157
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: 8
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -287.876459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.876459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.876459 (E_RNA)
where:
Base-Base interactions energy: -172.408
where: short stacking energy: -103.146
Base-Backbone interact. energy: -0.150
local terms energy: -115.317967
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -29.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -269.015515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.015515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.015515 (E_RNA)
where:
Base-Base interactions energy: -156.558
where: short stacking energy: -91.240
Base-Backbone interact. energy: -0.086
local terms energy: -112.371446
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -27.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -258.631203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.631203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.631203 (E_RNA)
where:
Base-Base interactions energy: -161.082
where: short stacking energy: -87.672
Base-Backbone interact. energy: -0.158
local terms energy: -97.391828
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -25.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -121.330338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.330338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.330338 (E_RNA)
where:
Base-Base interactions energy: -35.583
where: short stacking energy: -33.980
Base-Backbone interact. energy: -0.270
local terms energy: -85.476534
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -15.555
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: 7, replica: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -118.173089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.173089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.173089 (E_RNA)
where:
Base-Base interactions energy: -38.256
where: short stacking energy: -38.204
Base-Backbone interact. energy: -0.307
local terms energy: -79.609545
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -23.613
flat angles P-C4'-P energy: -16.672
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: 316
Temperature: 1.250000
Total energy: -121.967866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.967866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.967866 (E_RNA)
where:
Base-Base interactions energy: -50.775
where: short stacking energy: -47.907
Base-Backbone interact. energy: -0.399
local terms energy: -70.794293
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -14.584
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: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -122.446767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.446767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.446767 (E_RNA)
where:
Base-Base interactions energy: -60.016
where: short stacking energy: -48.536
Base-Backbone interact. energy: 0.074
local terms energy: -62.504718
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -119.011495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.011495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.011495 (E_RNA)
where:
Base-Base interactions energy: -58.888
where: short stacking energy: -35.739
Base-Backbone interact. energy: -0.368
local terms energy: -59.755925
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -311.698225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.698225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.698225 (E_RNA)
where:
Base-Base interactions energy: -190.712
where: short stacking energy: -110.021
Base-Backbone interact. energy: 0.296
local terms energy: -121.282187
where:
bonds (distance) C4'-P energy: -24.124
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -24.815
flat angles P-C4'-P energy: -19.534
tors. eta vs tors. theta energy: -29.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -308.271269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.271269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.271269 (E_RNA)
where:
Base-Base interactions energy: -193.660
where: short stacking energy: -96.136
Base-Backbone interact. energy: -1.833
local terms energy: -112.777774
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -31.274
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: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -294.320452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.320452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.320452 (E_RNA)
where:
Base-Base interactions energy: -184.028
where: short stacking energy: -110.907
Base-Backbone interact. energy: -0.184
local terms energy: -110.108017
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -24.067
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -30.747
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: 317
Temperature: 1.050000
Total energy: -247.452592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.452592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.452592 (E_RNA)
where:
Base-Base interactions energy: -154.837
where: short stacking energy: -77.600
Base-Backbone interact. energy: -0.127
local terms energy: -92.489078
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -24.542
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -16.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -259.376041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.376041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.376041 (E_RNA)
where:
Base-Base interactions energy: -154.320
where: short stacking energy: -93.875
Base-Backbone interact. energy: -0.015
local terms energy: -105.041340
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -27.726
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: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -124.043792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.043792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.043792 (E_RNA)
where:
Base-Base interactions energy: -52.425
where: short stacking energy: -37.905
Base-Backbone interact. energy: 0.859
local terms energy: -72.477959
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -6.793
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: 317
Temperature: 1.200000
Total energy: -134.026167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.026167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.026167 (E_RNA)
where:
Base-Base interactions energy: -49.825
where: short stacking energy: -49.502
Base-Backbone interact. energy: 0.149
local terms energy: -84.350570
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -138.236865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.236865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.236865 (E_RNA)
where:
Base-Base interactions energy: -71.732
where: short stacking energy: -40.478
Base-Backbone interact. energy: -0.398
local terms energy: -66.106453
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -7.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -112.852289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.852289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.852289 (E_RNA)
where:
Base-Base interactions energy: -44.721
where: short stacking energy: -36.428
Base-Backbone interact. energy: 1.584
local terms energy: -69.715256
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -9.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -120.993553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.993553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.993553 (E_RNA)
where:
Base-Base interactions energy: -48.919
where: short stacking energy: -42.757
Base-Backbone interact. energy: -0.336
local terms energy: -71.739007
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -300.525811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.525811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.525811 (E_RNA)
where:
Base-Base interactions energy: -192.688
where: short stacking energy: -97.901
Base-Backbone interact. energy: -0.351
local terms energy: -107.486863
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -23.607
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: -26.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -287.329653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.329653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.329653 (E_RNA)
where:
Base-Base interactions energy: -178.131
where: short stacking energy: -99.701
Base-Backbone interact. energy: -0.145
local terms energy: -109.053339
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -22.113
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -26.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -283.653048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.653048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.653048 (E_RNA)
where:
Base-Base interactions energy: -176.648
where: short stacking energy: -99.063
Base-Backbone interact. energy: 0.186
local terms energy: -107.191649
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -26.064
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -25.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -257.583086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.583086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.583086 (E_RNA)
where:
Base-Base interactions energy: -156.697
where: short stacking energy: -74.075
Base-Backbone interact. energy: -0.558
local terms energy: -100.328344
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -21.624
flat angles C4'-P-C4' energy: -23.429
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -21.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -264.306151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.306151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.306151 (E_RNA)
where:
Base-Base interactions energy: -161.623
where: short stacking energy: -86.852
Base-Backbone interact. energy: -0.147
local terms energy: -102.536541
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -29.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -128.529733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.529733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.529733 (E_RNA)
where:
Base-Base interactions energy: -52.931
where: short stacking energy: -50.210
Base-Backbone interact. energy: 3.011
local terms energy: -78.610072
where:
bonds (distance) C4'-P energy: -24.870
bonds (distance) P-C4' energy: -20.959
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -165.993042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.993042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.993042 (E_RNA)
where:
Base-Base interactions energy: -74.917
where: short stacking energy: -51.668
Base-Backbone interact. energy: -2.233
local terms energy: -88.843111
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -26.610
flat angles P-C4'-P energy: -14.948
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: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -131.041340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.041340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.041340 (E_RNA)
where:
Base-Base interactions energy: -37.131
where: short stacking energy: -37.131
Base-Backbone interact. energy: 1.299
local terms energy: -95.209182
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -25.422
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -107.220850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.220850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.220850 (E_RNA)
where:
Base-Base interactions energy: -52.409
where: short stacking energy: -44.473
Base-Backbone interact. energy: 0.003
local terms energy: -54.814778
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -99.642147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.642147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.642147 (E_RNA)
where:
Base-Base interactions energy: -35.812
where: short stacking energy: -35.812
Base-Backbone interact. energy: 2.774
local terms energy: -66.603965
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: 1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -291.291002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.291002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.291002 (E_RNA)
where:
Base-Base interactions energy: -178.346
where: short stacking energy: -95.390
Base-Backbone interact. energy: -0.016
local terms energy: -112.928701
where:
bonds (distance) C4'-P energy: -23.544
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -23.060
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -24.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -298.874553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.874553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.874553 (E_RNA)
where:
Base-Base interactions energy: -175.854
where: short stacking energy: -96.232
Base-Backbone interact. energy: -0.055
local terms energy: -122.965796
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -24.975
flat angles P-C4'-P energy: -18.906
tors. eta vs tors. theta energy: -33.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -290.783470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.783470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.783470 (E_RNA)
where:
Base-Base interactions energy: -171.574
where: short stacking energy: -101.409
Base-Backbone interact. energy: -0.007
local terms energy: -119.201862
where:
bonds (distance) C4'-P energy: -23.780
bonds (distance) P-C4' energy: -18.631
flat angles C4'-P-C4' energy: -25.042
flat angles P-C4'-P energy: -20.930
tors. eta vs tors. theta energy: -30.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -265.941237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.941237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.941237 (E_RNA)
where:
Base-Base interactions energy: -166.744
where: short stacking energy: -92.137
Base-Backbone interact. energy: -0.007
local terms energy: -99.189943
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -23.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -251.116803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.116803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.116803 (E_RNA)
where:
Base-Base interactions energy: -166.460
where: short stacking energy: -77.089
Base-Backbone interact. energy: -0.174
local terms energy: -84.482546
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -172.482167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.482167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.482167 (E_RNA)
where:
Base-Base interactions energy: -81.040
where: short stacking energy: -41.525
Base-Backbone interact. energy: 1.310
local terms energy: -92.752084
where:
bonds (distance) C4'-P energy: -24.044
bonds (distance) P-C4' energy: -25.383
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -13.751
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: 7, replica: 7
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -117.705011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.705011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.705011 (E_RNA)
where:
Base-Base interactions energy: -50.307
where: short stacking energy: -43.666
Base-Backbone interact. energy: -0.198
local terms energy: -67.199715
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -117.231546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.231546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.231546 (E_RNA)
where:
Base-Base interactions energy: -51.382
where: short stacking energy: -47.327
Base-Backbone interact. energy: -0.170
local terms energy: -65.679658
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -8.836
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -11.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -125.014068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.014068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.014068 (E_RNA)
where:
Base-Base interactions energy: -44.670
where: short stacking energy: -42.266
Base-Backbone interact. energy: 0.121
local terms energy: -80.464698
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -24.172
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -101.467866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.467866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.467866 (E_RNA)
where:
Base-Base interactions energy: -45.186
where: short stacking energy: -36.084
Base-Backbone interact. energy: 0.812
local terms energy: -57.093330
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -21.688
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: 0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -298.326320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.326320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.326320 (E_RNA)
where:
Base-Base interactions energy: -178.758
where: short stacking energy: -104.391
Base-Backbone interact. energy: -0.045
local terms energy: -119.522755
where:
bonds (distance) C4'-P energy: -26.606
bonds (distance) P-C4' energy: -25.591
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -16.671
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: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -295.986832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.986832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.986832 (E_RNA)
where:
Base-Base interactions energy: -191.165
where: short stacking energy: -103.086
Base-Backbone interact. energy: -0.042
local terms energy: -104.779373
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -17.460
tors. eta vs tors. theta energy: -28.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -268.199365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.199365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.199365 (E_RNA)
where:
Base-Base interactions energy: -154.333
where: short stacking energy: -88.763
Base-Backbone interact. energy: -0.516
local terms energy: -113.350575
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -264.717890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.717890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.717890 (E_RNA)
where:
Base-Base interactions energy: -161.196
where: short stacking energy: -87.074
Base-Backbone interact. energy: 0.189
local terms energy: -103.710956
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -24.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -251.721638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.721638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.721638 (E_RNA)
where:
Base-Base interactions energy: -148.509
where: short stacking energy: -81.528
Base-Backbone interact. energy: -0.296
local terms energy: -102.915957
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -26.881
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: 320
Temperature: 1.150000
Total energy: -152.029740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.029740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.029740 (E_RNA)
where:
Base-Base interactions energy: -75.926
where: short stacking energy: -51.898
Base-Backbone interact. energy: -0.818
local terms energy: -75.285037
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -1.976
tors. eta vs tors. theta energy: -9.528
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: 7, replica: 7
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -129.330941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.330941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.330941 (E_RNA)
where:
Base-Base interactions energy: -57.595
where: short stacking energy: -50.594
Base-Backbone interact. energy: 1.164
local terms energy: -72.899724
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -134.149550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.149550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.149550 (E_RNA)
where:
Base-Base interactions energy: -52.564
where: short stacking energy: -42.720
Base-Backbone interact. energy: -0.481
local terms energy: -81.104815
where:
bonds (distance) C4'-P energy: -25.576
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -1.163
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: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -108.214323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.214323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.214323 (E_RNA)
where:
Base-Base interactions energy: -41.592
where: short stacking energy: -33.851
Base-Backbone interact. energy: 0.282
local terms energy: -66.904320
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -1.214
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: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -108.142403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.142403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.142403 (E_RNA)
where:
Base-Base interactions energy: -52.230
where: short stacking energy: -38.485
Base-Backbone interact. energy: 0.377
local terms energy: -56.289703
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -13.079
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: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -293.112563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.112563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.112563 (E_RNA)
where:
Base-Base interactions energy: -177.982
where: short stacking energy: -99.329
Base-Backbone interact. energy: -0.004
local terms energy: -115.126144
where:
bonds (distance) C4'-P energy: -22.104
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -19.152
tors. eta vs tors. theta energy: -29.360
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: 321
Temperature: 0.950000
Total energy: -288.343425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.343425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.343425 (E_RNA)
where:
Base-Base interactions energy: -180.020
where: short stacking energy: -89.638
Base-Backbone interact. energy: -0.090
local terms energy: -108.233448
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -27.086
flat angles P-C4'-P energy: -17.487
tors. eta vs tors. theta energy: -25.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -259.374263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.374263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.374263 (E_RNA)
where:
Base-Base interactions energy: -163.451
where: short stacking energy: -94.623
Base-Backbone interact. energy: 0.261
local terms energy: -96.184042
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -24.659
flat angles C4'-P-C4' energy: -23.952
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -24.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -254.525659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.525659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.525659 (E_RNA)
where:
Base-Base interactions energy: -160.013
where: short stacking energy: -91.652
Base-Backbone interact. energy: -0.517
local terms energy: -93.996118
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -15.688
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: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -254.651740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.651740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.651740 (E_RNA)
where:
Base-Base interactions energy: -156.111
where: short stacking energy: -87.713
Base-Backbone interact. energy: 0.518
local terms energy: -99.058669
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -23.325
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -21.782
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: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -181.614060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.614060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.614060 (E_RNA)
where:
Base-Base interactions energy: -92.493
where: short stacking energy: -66.741
Base-Backbone interact. energy: -0.029
local terms energy: -89.092102
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -125.981184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.981184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.981184 (E_RNA)
where:
Base-Base interactions energy: -62.128
where: short stacking energy: -47.405
Base-Backbone interact. energy: -0.266
local terms energy: -63.586992
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -3.789
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: 8, replica: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -120.777878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.777878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.777878 (E_RNA)
where:
Base-Base interactions energy: -40.411
where: short stacking energy: -33.098
Base-Backbone interact. energy: -0.167
local terms energy: -80.200629
where:
bonds (distance) C4'-P energy: -22.017
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -10.173
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: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -104.494775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.494775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.494775 (E_RNA)
where:
Base-Base interactions energy: -29.848
where: short stacking energy: -26.474
Base-Backbone interact. energy: -0.437
local terms energy: -74.210122
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -0.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -142.350823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.350823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.350823 (E_RNA)
where:
Base-Base interactions energy: -72.300
where: short stacking energy: -40.446
Base-Backbone interact. energy: -0.837
local terms energy: -69.213949
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -300.623319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.623319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.623319 (E_RNA)
where:
Base-Base interactions energy: -193.602
where: short stacking energy: -101.323
Base-Backbone interact. energy: -0.280
local terms energy: -106.740749
where:
bonds (distance) C4'-P energy: -22.915
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -22.236
flat angles P-C4'-P energy: -11.406
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: 322
Temperature: 0.950000
Total energy: -292.515321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.515321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.515321 (E_RNA)
where:
Base-Base interactions energy: -180.291
where: short stacking energy: -102.208
Base-Backbone interact. energy: -0.078
local terms energy: -112.146638
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -24.658
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -28.600
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: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -252.958838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.958838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.958838 (E_RNA)
where:
Base-Base interactions energy: -149.397
where: short stacking energy: -79.160
Base-Backbone interact. energy: -0.097
local terms energy: -103.464911
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -19.854
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: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -255.665485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.665485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.665485 (E_RNA)
where:
Base-Base interactions energy: -162.834
where: short stacking energy: -88.141
Base-Backbone interact. energy: -0.274
local terms energy: -92.557710
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -16.559
tors. eta vs tors. theta energy: -22.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -176.949096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.949096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.949096 (E_RNA)
where:
Base-Base interactions energy: -89.741
where: short stacking energy: -54.644
Base-Backbone interact. energy: -0.317
local terms energy: -86.890805
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -26.193
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -8.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -250.101357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.101357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.101357 (E_RNA)
where:
Base-Base interactions energy: -152.296
where: short stacking energy: -77.444
Base-Backbone interact. energy: -0.490
local terms energy: -97.315284
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -13.140
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: 7, replica: 7
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -118.212020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.212020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.212020 (E_RNA)
where:
Base-Base interactions energy: -44.777
where: short stacking energy: -34.717
Base-Backbone interact. energy: -0.409
local terms energy: -73.025721
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -23.314
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: 2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -113.393780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.393780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.393780 (E_RNA)
where:
Base-Base interactions energy: -37.770
where: short stacking energy: -32.161
Base-Backbone interact. energy: -0.333
local terms energy: -75.291591
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -7.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -114.796917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.796917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.796917 (E_RNA)
where:
Base-Base interactions energy: -46.655
where: short stacking energy: -21.894
Base-Backbone interact. energy: 1.837
local terms energy: -69.979070
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: 5.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -107.774687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.774687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.774687 (E_RNA)
where:
Base-Base interactions energy: -57.258
where: short stacking energy: -39.090
Base-Backbone interact. energy: 1.066
local terms energy: -51.582565
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -9.151
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: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -318.778352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.778352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.778352 (E_RNA)
where:
Base-Base interactions energy: -205.860
where: short stacking energy: -109.387
Base-Backbone interact. energy: -0.312
local terms energy: -112.606071
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -32.307
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: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -302.561613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.561613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.561613 (E_RNA)
where:
Base-Base interactions energy: -184.636
where: short stacking energy: -103.659
Base-Backbone interact. energy: -0.247
local terms energy: -117.678664
where:
bonds (distance) C4'-P energy: -24.419
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -16.463
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: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -286.041065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.041065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.041065 (E_RNA)
where:
Base-Base interactions energy: -175.901
where: short stacking energy: -104.995
Base-Backbone interact. energy: -0.008
local terms energy: -110.132724
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -22.057
flat angles C4'-P-C4' energy: -23.516
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -30.615
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: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -259.228002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.228002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.228002 (E_RNA)
where:
Base-Base interactions energy: -162.413
where: short stacking energy: -87.522
Base-Backbone interact. energy: -0.032
local terms energy: -96.782919
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -27.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -170.270690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.270690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.270690 (E_RNA)
where:
Base-Base interactions energy: -75.929
where: short stacking energy: -49.023
Base-Backbone interact. energy: -0.035
local terms energy: -94.307161
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -24.563
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -236.360116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.360116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.360116 (E_RNA)
where:
Base-Base interactions energy: -149.147
where: short stacking energy: -72.464
Base-Backbone interact. energy: -0.204
local terms energy: -87.008902
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -16.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -131.816996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.816996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.816996 (E_RNA)
where:
Base-Base interactions energy: -37.517
where: short stacking energy: -30.714
Base-Backbone interact. energy: -1.659
local terms energy: -92.640743
where:
bonds (distance) C4'-P energy: -23.554
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -119.231322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.231322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.231322 (E_RNA)
where:
Base-Base interactions energy: -51.060
where: short stacking energy: -43.098
Base-Backbone interact. energy: -0.085
local terms energy: -68.086422
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -111.589504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.589504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.589504 (E_RNA)
where:
Base-Base interactions energy: -48.078
where: short stacking energy: -36.035
Base-Backbone interact. energy: -0.313
local terms energy: -63.198234
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -96.462100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.462100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.462100 (E_RNA)
where:
Base-Base interactions energy: -31.842
where: short stacking energy: -31.842
Base-Backbone interact. energy: -0.286
local terms energy: -64.334062
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -23.808
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: 2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -320.252586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.252586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.252586 (E_RNA)
where:
Base-Base interactions energy: -202.160
where: short stacking energy: -109.639
Base-Backbone interact. energy: -0.166
local terms energy: -117.926820
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -26.069
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -32.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -292.886323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.886323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.886323 (E_RNA)
where:
Base-Base interactions energy: -184.898
where: short stacking energy: -113.411
Base-Backbone interact. energy: -0.097
local terms energy: -107.890745
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -32.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -265.518510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.518510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.518510 (E_RNA)
where:
Base-Base interactions energy: -156.271
where: short stacking energy: -89.308
Base-Backbone interact. energy: 0.842
local terms energy: -110.089513
where:
bonds (distance) C4'-P energy: -24.104
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -27.491
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: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -265.024965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.024965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.024965 (E_RNA)
where:
Base-Base interactions energy: -168.475
where: short stacking energy: -99.297
Base-Backbone interact. energy: -0.166
local terms energy: -96.383998
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -29.599
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: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -249.645333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.645333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.645333 (E_RNA)
where:
Base-Base interactions energy: -151.225
where: short stacking energy: -75.589
Base-Backbone interact. energy: -0.488
local terms energy: -97.931493
where:
bonds (distance) C4'-P energy: -22.336
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -17.667
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -173.199626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.199626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.199626 (E_RNA)
where:
Base-Base interactions energy: -90.480
where: short stacking energy: -65.774
Base-Backbone interact. energy: -0.127
local terms energy: -82.592117
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -15.137
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: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -131.802928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.802928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.802928 (E_RNA)
where:
Base-Base interactions energy: -49.467
where: short stacking energy: -30.211
Base-Backbone interact. energy: -0.209
local terms energy: -82.126043
where:
bonds (distance) C4'-P energy: -23.864
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -8.741
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: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -126.870428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.870428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.870428 (E_RNA)
where:
Base-Base interactions energy: -48.276
where: short stacking energy: -48.276
Base-Backbone interact. energy: 0.071
local terms energy: -78.664605
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -105.233994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.233994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.233994 (E_RNA)
where:
Base-Base interactions energy: -37.753
where: short stacking energy: -37.424
Base-Backbone interact. energy: -0.163
local terms energy: -67.317797
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -5.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -104.087634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.087634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.087634 (E_RNA)
where:
Base-Base interactions energy: -34.893
where: short stacking energy: -22.888
Base-Backbone interact. energy: -0.683
local terms energy: -68.512108
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: 0.856
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: 1, replica: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -319.612229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.612229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.612229 (E_RNA)
where:
Base-Base interactions energy: -209.542
where: short stacking energy: -103.629
Base-Backbone interact. energy: 0.145
local terms energy: -110.215436
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -30.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -290.098276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.098276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.098276 (E_RNA)
where:
Base-Base interactions energy: -176.176
where: short stacking energy: -99.006
Base-Backbone interact. energy: -0.008
local terms energy: -113.914242
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -27.591
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -29.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -245.428543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.428543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.428543 (E_RNA)
where:
Base-Base interactions energy: -157.204
where: short stacking energy: -79.695
Base-Backbone interact. energy: -0.421
local terms energy: -87.803509
where:
bonds (distance) C4'-P energy: -24.120
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -277.012175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.012175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.012175 (E_RNA)
where:
Base-Base interactions energy: -173.094
where: short stacking energy: -93.343
Base-Backbone interact. energy: -0.005
local terms energy: -103.913078
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -28.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -238.839950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.839950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.839950 (E_RNA)
where:
Base-Base interactions energy: -150.492
where: short stacking energy: -81.549
Base-Backbone interact. energy: -0.157
local terms energy: -88.190612
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -25.452
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -169.631729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.631729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.631729 (E_RNA)
where:
Base-Base interactions energy: -89.412
where: short stacking energy: -60.878
Base-Backbone interact. energy: -0.656
local terms energy: -79.564092
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -14.972
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: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -122.085003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.085003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.085003 (E_RNA)
where:
Base-Base interactions energy: -55.446
where: short stacking energy: -41.643
Base-Backbone interact. energy: -0.366
local terms energy: -66.273219
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -11.441
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: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -120.718458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.718458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.718458 (E_RNA)
where:
Base-Base interactions energy: -47.195
where: short stacking energy: -32.652
Base-Backbone interact. energy: 0.913
local terms energy: -74.436396
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -118.164696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.164696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.164696 (E_RNA)
where:
Base-Base interactions energy: -49.256
where: short stacking energy: -46.759
Base-Backbone interact. energy: -0.529
local terms energy: -68.380416
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -8.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -118.607917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.607917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.607917 (E_RNA)
where:
Base-Base interactions energy: -42.655
where: short stacking energy: -42.655
Base-Backbone interact. energy: -0.117
local terms energy: -75.836494
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -328.876147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.876147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.876147 (E_RNA)
where:
Base-Base interactions energy: -202.773
where: short stacking energy: -113.936
Base-Backbone interact. energy: -1.356
local terms energy: -124.747444
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -24.242
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: -35.462
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: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -284.969655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.969655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.969655 (E_RNA)
where:
Base-Base interactions energy: -169.642
where: short stacking energy: -103.139
Base-Backbone interact. energy: -0.003
local terms energy: -115.325050
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -22.237
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -32.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -269.457023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.457023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.457023 (E_RNA)
where:
Base-Base interactions energy: -171.281
where: short stacking energy: -93.453
Base-Backbone interact. energy: -0.074
local terms energy: -98.101501
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -15.940
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: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -255.463024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.463024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.463024 (E_RNA)
where:
Base-Base interactions energy: -156.327
where: short stacking energy: -84.982
Base-Backbone interact. energy: -0.062
local terms energy: -99.073503
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -18.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -236.929170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.929170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.929170 (E_RNA)
where:
Base-Base interactions energy: -146.963
where: short stacking energy: -74.631
Base-Backbone interact. energy: -0.587
local terms energy: -89.379061
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -14.990
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: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -173.036323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.036323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.036323 (E_RNA)
where:
Base-Base interactions energy: -83.286
where: short stacking energy: -56.952
Base-Backbone interact. energy: -0.126
local terms energy: -89.624573
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -25.027
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -12.802
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: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -139.663327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.663327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.663327 (E_RNA)
where:
Base-Base interactions energy: -68.194
where: short stacking energy: -49.576
Base-Backbone interact. energy: -0.013
local terms energy: -71.456453
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -110.953615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.953615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.953615 (E_RNA)
where:
Base-Base interactions energy: -38.869
where: short stacking energy: -38.869
Base-Backbone interact. energy: -0.172
local terms energy: -71.912647
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -121.567486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.567486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.567486 (E_RNA)
where:
Base-Base interactions energy: -36.853
where: short stacking energy: -31.335
Base-Backbone interact. energy: 0.267
local terms energy: -84.980777
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -121.967654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.967654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.967654 (E_RNA)
where:
Base-Base interactions energy: -60.204
where: short stacking energy: -32.417
Base-Backbone interact. energy: 0.418
local terms energy: -62.181680
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: 6.408
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: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -326.399591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.399591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.399591 (E_RNA)
where:
Base-Base interactions energy: -206.867
where: short stacking energy: -106.247
Base-Backbone interact. energy: -0.016
local terms energy: -119.516618
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -25.065
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -32.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -290.460290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.460290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.460290 (E_RNA)
where:
Base-Base interactions energy: -181.880
where: short stacking energy: -102.306
Base-Backbone interact. energy: -0.046
local terms energy: -108.534124
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -24.271
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -25.206
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: 327
Temperature: 1.000000
Total energy: -271.723902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.723902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.723902 (E_RNA)
where:
Base-Base interactions energy: -164.612
where: short stacking energy: -80.770
Base-Backbone interact. energy: -0.196
local terms energy: -106.916402
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -24.688
flat angles C4'-P-C4' energy: -23.633
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -21.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -277.975042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.975042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.975042 (E_RNA)
where:
Base-Base interactions energy: -170.589
where: short stacking energy: -94.100
Base-Backbone interact. energy: -0.693
local terms energy: -106.692745
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -24.065
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: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -243.483408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.483408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.483408 (E_RNA)
where:
Base-Base interactions energy: -147.665
where: short stacking energy: -84.249
Base-Backbone interact. energy: -0.345
local terms energy: -95.473857
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -18.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -151.090096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.090096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.090096 (E_RNA)
where:
Base-Base interactions energy: -56.421
where: short stacking energy: -56.921
Base-Backbone interact. energy: -0.570
local terms energy: -94.099794
where:
bonds (distance) C4'-P energy: -23.051
bonds (distance) P-C4' energy: -21.677
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -15.775
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: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -170.830497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.830497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.830497 (E_RNA)
where:
Base-Base interactions energy: -92.360
where: short stacking energy: -43.871
Base-Backbone interact. energy: -0.368
local terms energy: -78.101812
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -23.248
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -10.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -124.082500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.082500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.082500 (E_RNA)
where:
Base-Base interactions energy: -47.818
where: short stacking energy: -47.114
Base-Backbone interact. energy: -0.167
local terms energy: -76.098224
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -12.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -113.237228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.237228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.237228 (E_RNA)
where:
Base-Base interactions energy: -39.114
where: short stacking energy: -35.203
Base-Backbone interact. energy: -0.293
local terms energy: -73.830254
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: 0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -111.272733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.272733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.272733 (E_RNA)
where:
Base-Base interactions energy: -44.509
where: short stacking energy: -35.109
Base-Backbone interact. energy: 2.441
local terms energy: -69.204755
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -16.040
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: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -318.409304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.409304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.409304 (E_RNA)
where:
Base-Base interactions energy: -206.992
where: short stacking energy: -108.093
Base-Backbone interact. energy: -0.037
local terms energy: -111.380049
where:
bonds (distance) C4'-P energy: -21.607
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -23.234
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -28.479
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: 328
Temperature: 0.950000
Total energy: -293.431337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.431337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.431337 (E_RNA)
where:
Base-Base interactions energy: -197.812
where: short stacking energy: -109.723
Base-Backbone interact. energy: -0.009
local terms energy: -95.609625
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -29.433
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: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -268.069951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.069951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.069951 (E_RNA)
where:
Base-Base interactions energy: -166.066
where: short stacking energy: -87.011
Base-Backbone interact. energy: -0.353
local terms energy: -101.650444
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -24.384
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -261.199007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.199007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.199007 (E_RNA)
where:
Base-Base interactions energy: -168.490
where: short stacking energy: -95.240
Base-Backbone interact. energy: 0.170
local terms energy: -92.879501
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -24.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -226.463769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.463769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.463769 (E_RNA)
where:
Base-Base interactions energy: -144.634
where: short stacking energy: -72.900
Base-Backbone interact. energy: -0.137
local terms energy: -81.692749
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -25.929
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -14.582
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: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -157.813691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.813691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.813691 (E_RNA)
where:
Base-Base interactions energy: -73.403
where: short stacking energy: -60.390
Base-Backbone interact. energy: -0.428
local terms energy: -83.982367
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -26.901
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -174.330137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.330137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.330137 (E_RNA)
where:
Base-Base interactions energy: -100.105
where: short stacking energy: -48.743
Base-Backbone interact. energy: -0.143
local terms energy: -74.081915
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -122.541760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.541760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.541760 (E_RNA)
where:
Base-Base interactions energy: -38.191
where: short stacking energy: -37.004
Base-Backbone interact. energy: -0.103
local terms energy: -84.247568
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -112.329686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.329686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.329686 (E_RNA)
where:
Base-Base interactions energy: -49.235
where: short stacking energy: -32.542
Base-Backbone interact. energy: 0.152
local terms energy: -63.245939
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -10.667
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: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -99.404200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.404200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.404200 (E_RNA)
where:
Base-Base interactions energy: -36.800
where: short stacking energy: -34.691
Base-Backbone interact. energy: -0.156
local terms energy: -62.448151
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -317.367188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.367188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.367188 (E_RNA)
where:
Base-Base interactions energy: -200.906
where: short stacking energy: -100.760
Base-Backbone interact. energy: -0.055
local terms energy: -116.406709
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -28.388
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: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -268.832373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.832373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.832373 (E_RNA)
where:
Base-Base interactions energy: -161.262
where: short stacking energy: -90.656
Base-Backbone interact. energy: -0.991
local terms energy: -106.579893
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: -20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -290.455972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.455972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.455972 (E_RNA)
where:
Base-Base interactions energy: -186.515
where: short stacking energy: -92.755
Base-Backbone interact. energy: -0.204
local terms energy: -103.736099
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -27.907
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: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -261.110972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.110972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.110972 (E_RNA)
where:
Base-Base interactions energy: -153.305
where: short stacking energy: -78.298
Base-Backbone interact. energy: -0.134
local terms energy: -107.671672
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -24.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -233.522841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.522841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.522841 (E_RNA)
where:
Base-Base interactions energy: -140.124
where: short stacking energy: -72.784
Base-Backbone interact. energy: 0.971
local terms energy: -94.369935
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -22.213
flat angles C4'-P-C4' energy: -21.455
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -179.102507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.102507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.102507 (E_RNA)
where:
Base-Base interactions energy: -99.883
where: short stacking energy: -47.129
Base-Backbone interact. energy: 1.212
local terms energy: -80.430864
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -122.480720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.480720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.480720 (E_RNA)
where:
Base-Base interactions energy: -45.396
where: short stacking energy: -44.036
Base-Backbone interact. energy: -0.438
local terms energy: -76.646825
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -21.668
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -113.100391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.100391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.100391 (E_RNA)
where:
Base-Base interactions energy: -51.837
where: short stacking energy: -35.518
Base-Backbone interact. energy: -0.242
local terms energy: -61.021303
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -111.454888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.454888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.454888 (E_RNA)
where:
Base-Base interactions energy: -39.572
where: short stacking energy: -37.854
Base-Backbone interact. energy: 0.705
local terms energy: -72.588610
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -9.245
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: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -112.615814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.615814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.615814 (E_RNA)
where:
Base-Base interactions energy: -42.582
where: short stacking energy: -42.582
Base-Backbone interact. energy: -0.127
local terms energy: -69.907527
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -11.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -318.091757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.091757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.091757 (E_RNA)
where:
Base-Base interactions energy: -208.603
where: short stacking energy: -112.260
Base-Backbone interact. energy: 1.707
local terms energy: -111.196137
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -26.566
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -31.112
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: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -283.934395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.934395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.934395 (E_RNA)
where:
Base-Base interactions energy: -172.643
where: short stacking energy: -106.179
Base-Backbone interact. energy: -0.006
local terms energy: -111.284995
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -28.181
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: 330
Temperature: 1.000000
Total energy: -287.941715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.941715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.941715 (E_RNA)
where:
Base-Base interactions energy: -176.246
where: short stacking energy: -101.328
Base-Backbone interact. energy: -0.033
local terms energy: -111.662690
where:
bonds (distance) C4'-P energy: -22.703
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -29.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -274.026506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.026506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.026506 (E_RNA)
where:
Base-Base interactions energy: -171.650
where: short stacking energy: -86.214
Base-Backbone interact. energy: -0.097
local terms energy: -102.279281
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -24.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -194.444191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.444191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.444191 (E_RNA)
where:
Base-Base interactions energy: -110.023
where: short stacking energy: -56.939
Base-Backbone interact. energy: -0.402
local terms energy: -84.019571
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -24.998
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -8.901
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: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -235.030188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.030188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.030188 (E_RNA)
where:
Base-Base interactions energy: -140.490
where: short stacking energy: -78.496
Base-Backbone interact. energy: 0.034
local terms energy: -94.574134
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -22.937
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: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -135.610800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.610800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.610800 (E_RNA)
where:
Base-Base interactions energy: -58.111
where: short stacking energy: -42.722
Base-Backbone interact. energy: -0.155
local terms energy: -77.344837
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -110.039144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.039144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.039144 (E_RNA)
where:
Base-Base interactions energy: -40.436
where: short stacking energy: -35.540
Base-Backbone interact. energy: 1.038
local terms energy: -70.641411
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -116.715832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.715832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.715832 (E_RNA)
where:
Base-Base interactions energy: -42.933
where: short stacking energy: -29.614
Base-Backbone interact. energy: -0.281
local terms energy: -73.501918
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -103.079670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.079670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.079670 (E_RNA)
where:
Base-Base interactions energy: -37.587
where: short stacking energy: -34.942
Base-Backbone interact. energy: -0.575
local terms energy: -64.916954
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -333.461746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.461746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.461746 (E_RNA)
where:
Base-Base interactions energy: -212.821
where: short stacking energy: -104.749
Base-Backbone interact. energy: -0.128
local terms energy: -120.512834
where:
bonds (distance) C4'-P energy: -24.074
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -34.994
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: 331
Temperature: 0.950000
Total energy: -269.531687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.531687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.531687 (E_RNA)
where:
Base-Base interactions energy: -159.377
where: short stacking energy: -88.767
Base-Backbone interact. energy: -0.261
local terms energy: -109.894437
where:
bonds (distance) C4'-P energy: -23.417
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -25.142
flat angles P-C4'-P energy: -19.830
tors. eta vs tors. theta energy: -26.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -296.960226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.960226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.960226 (E_RNA)
where:
Base-Base interactions energy: -188.613
where: short stacking energy: -102.466
Base-Backbone interact. energy: -0.090
local terms energy: -108.257631
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -31.121
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: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -257.351865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.351865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.351865 (E_RNA)
where:
Base-Base interactions energy: -153.837
where: short stacking energy: -82.017
Base-Backbone interact. energy: -0.108
local terms energy: -103.407245
where:
bonds (distance) C4'-P energy: -21.164
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -20.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -204.341458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.341458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.341458 (E_RNA)
where:
Base-Base interactions energy: -113.948
where: short stacking energy: -67.438
Base-Backbone interact. energy: -0.397
local terms energy: -89.996339
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -230.759516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.759516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.759516 (E_RNA)
where:
Base-Base interactions energy: -152.898
where: short stacking energy: -77.992
Base-Backbone interact. energy: 0.690
local terms energy: -78.551406
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -19.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -120.719884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.719884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.719884 (E_RNA)
where:
Base-Base interactions energy: -43.542
where: short stacking energy: -32.207
Base-Backbone interact. energy: 0.539
local terms energy: -77.717327
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -22.831
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -115.271245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.271245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.271245 (E_RNA)
where:
Base-Base interactions energy: -52.035
where: short stacking energy: -31.289
Base-Backbone interact. energy: 0.085
local terms energy: -63.321891
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: 2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -112.742104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.742104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.742104 (E_RNA)
where:
Base-Base interactions energy: -38.868
where: short stacking energy: -38.868
Base-Backbone interact. energy: -0.406
local terms energy: -73.468219
where:
bonds (distance) C4'-P energy: -22.960
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -0.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -107.468627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.468627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.468627 (E_RNA)
where:
Base-Base interactions energy: -42.273
where: short stacking energy: -42.273
Base-Backbone interact. energy: 1.370
local terms energy: -66.564804
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -1.709
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: 332
Temperature: 0.900000
Total energy: -330.396488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.396488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.396488 (E_RNA)
where:
Base-Base interactions energy: -213.250
where: short stacking energy: -110.314
Base-Backbone interact. energy: -1.459
local terms energy: -115.687078
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -25.149
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -33.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -261.020462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.020462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.020462 (E_RNA)
where:
Base-Base interactions energy: -165.865
where: short stacking energy: -91.939
Base-Backbone interact. energy: 1.287
local terms energy: -96.442018
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -21.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -287.500543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.500543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.500543 (E_RNA)
where:
Base-Base interactions energy: -171.702
where: short stacking energy: -97.441
Base-Backbone interact. energy: -0.010
local terms energy: -115.788304
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -24.441
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -28.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -257.411096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.411096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.411096 (E_RNA)
where:
Base-Base interactions energy: -156.283
where: short stacking energy: -83.959
Base-Backbone interact. energy: -0.371
local terms energy: -100.756230
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -21.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -236.359515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.359515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.359515 (E_RNA)
where:
Base-Base interactions energy: -147.189
where: short stacking energy: -74.228
Base-Backbone interact. energy: 0.172
local terms energy: -89.342006
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -193.890150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.890150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.890150 (E_RNA)
where:
Base-Base interactions energy: -109.711
where: short stacking energy: -62.151
Base-Backbone interact. energy: 0.453
local terms energy: -84.631712
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -120.573823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.573823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.573823 (E_RNA)
where:
Base-Base interactions energy: -53.142
where: short stacking energy: -38.245
Base-Backbone interact. energy: 10.025
local terms energy: -77.456824
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: 2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -119.331180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.331180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.331180 (E_RNA)
where:
Base-Base interactions energy: -44.736
where: short stacking energy: -44.736
Base-Backbone interact. energy: 0.231
local terms energy: -74.826194
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -7.931
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: 332
Temperature: 1.300000
Total energy: -106.413571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.413571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.413571 (E_RNA)
where:
Base-Base interactions energy: -40.083
where: short stacking energy: -30.557
Base-Backbone interact. energy: -0.439
local terms energy: -65.891154
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -14.011
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: 10, replica: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -109.126262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.126262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.126262 (E_RNA)
where:
Base-Base interactions energy: -44.268
where: short stacking energy: -35.538
Base-Backbone interact. energy: -0.379
local terms energy: -64.479136
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -304.963714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.963714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.963714 (E_RNA)
where:
Base-Base interactions energy: -194.549
where: short stacking energy: -94.668
Base-Backbone interact. energy: 0.036
local terms energy: -110.450503
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -24.316
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: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -279.487939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.487939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.487939 (E_RNA)
where:
Base-Base interactions energy: -171.868
where: short stacking energy: -84.304
Base-Backbone interact. energy: -0.070
local terms energy: -107.549157
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -24.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -258.271295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.271295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.271295 (E_RNA)
where:
Base-Base interactions energy: -163.040
where: short stacking energy: -81.904
Base-Backbone interact. energy: -0.372
local terms energy: -94.859981
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -271.143357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.143357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.143357 (E_RNA)
where:
Base-Base interactions energy: -173.547
where: short stacking energy: -85.592
Base-Backbone interact. energy: -0.078
local terms energy: -97.518421
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -23.289
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: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -267.124372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.124372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.124372 (E_RNA)
where:
Base-Base interactions energy: -161.839
where: short stacking energy: -84.749
Base-Backbone interact. energy: -0.048
local terms energy: -105.237627
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -18.410
tors. eta vs tors. theta energy: -26.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -174.819497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.819497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.819497 (E_RNA)
where:
Base-Base interactions energy: -92.481
where: short stacking energy: -60.294
Base-Backbone interact. energy: -1.293
local terms energy: -81.044928
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -6.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -131.625260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.625260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.625260 (E_RNA)
where:
Base-Base interactions energy: -59.580
where: short stacking energy: -38.555
Base-Backbone interact. energy: -0.257
local terms energy: -71.788358
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -127.582273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.582273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.582273 (E_RNA)
where:
Base-Base interactions energy: -62.782
where: short stacking energy: -54.237
Base-Backbone interact. energy: -1.283
local terms energy: -63.517546
where:
bonds (distance) C4'-P energy: -8.514
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: -9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -109.269747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.269747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.269747 (E_RNA)
where:
Base-Base interactions energy: -45.917
where: short stacking energy: -43.430
Base-Backbone interact. energy: -0.078
local terms energy: -63.274441
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -93.590139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.590139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.590139 (E_RNA)
where:
Base-Base interactions energy: -35.748
where: short stacking energy: -32.965
Base-Backbone interact. energy: 6.573
local terms energy: -64.414826
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: 1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -305.563749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.563749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.563749 (E_RNA)
where:
Base-Base interactions energy: -189.923
where: short stacking energy: -108.520
Base-Backbone interact. energy: -0.023
local terms energy: -115.617019
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -25.982
flat angles C4'-P-C4' energy: -21.814
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -31.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -287.065832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.065832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.065832 (E_RNA)
where:
Base-Base interactions energy: -179.104
where: short stacking energy: -106.052
Base-Backbone interact. energy: -0.131
local terms energy: -107.831115
where:
bonds (distance) C4'-P energy: -22.887
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -30.249
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: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -265.525119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.525119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.525119 (E_RNA)
where:
Base-Base interactions energy: -159.833
where: short stacking energy: -86.098
Base-Backbone interact. energy: -1.070
local terms energy: -104.622352
where:
bonds (distance) C4'-P energy: -21.707
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -26.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -263.133431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.133431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.133431 (E_RNA)
where:
Base-Base interactions energy: -169.394
where: short stacking energy: -87.367
Base-Backbone interact. energy: -0.177
local terms energy: -93.562311
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -23.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -250.731848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.731848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.731848 (E_RNA)
where:
Base-Base interactions energy: -151.225
where: short stacking energy: -79.858
Base-Backbone interact. energy: -0.005
local terms energy: -99.501601
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -23.121
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -13.064
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: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -181.857502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.857502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.857502 (E_RNA)
where:
Base-Base interactions energy: -103.442
where: short stacking energy: -59.548
Base-Backbone interact. energy: -0.532
local terms energy: -77.883713
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -131.557459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.557459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.557459 (E_RNA)
where:
Base-Base interactions energy: -48.284
where: short stacking energy: -34.342
Base-Backbone interact. energy: -0.170
local terms energy: -83.103943
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -19.316
tors. eta vs tors. theta energy: -7.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -110.766265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.766265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.766265 (E_RNA)
where:
Base-Base interactions energy: -39.199
where: short stacking energy: -39.199
Base-Backbone interact. energy: 0.308
local terms energy: -71.875844
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -9.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -112.769735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.769735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.769735 (E_RNA)
where:
Base-Base interactions energy: -40.938
where: short stacking energy: -22.834
Base-Backbone interact. energy: -0.165
local terms energy: -71.666778
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: 0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -107.611206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.611206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.611206 (E_RNA)
where:
Base-Base interactions energy: -37.558
where: short stacking energy: -32.939
Base-Backbone interact. energy: 0.073
local terms energy: -70.126317
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -5.686
tors. eta vs tors. theta energy: -9.233
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: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -310.645548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.645548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.645548 (E_RNA)
where:
Base-Base interactions energy: -193.582
where: short stacking energy: -101.484
Base-Backbone interact. energy: -0.073
local terms energy: -116.990147
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: -28.573
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: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -317.569565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.569565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.569565 (E_RNA)
where:
Base-Base interactions energy: -203.648
where: short stacking energy: -116.766
Base-Backbone interact. energy: 1.289
local terms energy: -115.210558
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -22.584
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -34.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -291.181039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.181039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.181039 (E_RNA)
where:
Base-Base interactions energy: -181.393
where: short stacking energy: -85.441
Base-Backbone interact. energy: -0.103
local terms energy: -109.684599
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -33.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -282.122310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.122310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.122310 (E_RNA)
where:
Base-Base interactions energy: -177.574
where: short stacking energy: -91.837
Base-Backbone interact. energy: -0.056
local terms energy: -104.492866
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -26.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -272.093919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.093919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.093919 (E_RNA)
where:
Base-Base interactions energy: -165.599
where: short stacking energy: -88.138
Base-Backbone interact. energy: -0.067
local terms energy: -106.427855
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -22.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -136.261860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.261860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.261860 (E_RNA)
where:
Base-Base interactions energy: -55.256
where: short stacking energy: -49.763
Base-Backbone interact. energy: 0.246
local terms energy: -81.252242
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -167.586889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.586889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.586889 (E_RNA)
where:
Base-Base interactions energy: -86.135
where: short stacking energy: -63.485
Base-Backbone interact. energy: -0.524
local terms energy: -80.928521
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -10.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -128.440341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.440341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.440341 (E_RNA)
where:
Base-Base interactions energy: -42.575
where: short stacking energy: -42.575
Base-Backbone interact. energy: -0.023
local terms energy: -85.842878
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -19.378
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -12.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -106.764190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.764190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.764190 (E_RNA)
where:
Base-Base interactions energy: -35.076
where: short stacking energy: -32.286
Base-Backbone interact. energy: -0.022
local terms energy: -71.665915
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: 0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -122.727387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.727387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.727387 (E_RNA)
where:
Base-Base interactions energy: -50.841
where: short stacking energy: -34.422
Base-Backbone interact. energy: -0.524
local terms energy: -71.362849
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -299.486794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.486794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.486794 (E_RNA)
where:
Base-Base interactions energy: -179.974
where: short stacking energy: -102.223
Base-Backbone interact. energy: -0.058
local terms energy: -119.455470
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: -31.041
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: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -303.009463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.009463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.009463 (E_RNA)
where:
Base-Base interactions energy: -191.402
where: short stacking energy: -104.199
Base-Backbone interact. energy: 0.566
local terms energy: -112.173650
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -32.078
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: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -293.870424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.870424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.870424 (E_RNA)
where:
Base-Base interactions energy: -185.720
where: short stacking energy: -95.332
Base-Backbone interact. energy: -0.162
local terms energy: -107.988023
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -25.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -276.261820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.261820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.261820 (E_RNA)
where:
Base-Base interactions energy: -181.418
where: short stacking energy: -83.981
Base-Backbone interact. energy: -0.588
local terms energy: -94.255801
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -25.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -277.837842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.837842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.837842 (E_RNA)
where:
Base-Base interactions energy: -176.372
where: short stacking energy: -92.013
Base-Backbone interact. energy: -0.181
local terms energy: -101.284988
where:
bonds (distance) C4'-P energy: -20.134
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -23.837
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -26.131
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: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -124.187621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.187621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.187621 (E_RNA)
where:
Base-Base interactions energy: -41.021
where: short stacking energy: -33.026
Base-Backbone interact. energy: 0.019
local terms energy: -83.185070
where:
bonds (distance) C4'-P energy: -21.387
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -21.667
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -9.160
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: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -155.753056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.753056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.753056 (E_RNA)
where:
Base-Base interactions energy: -81.686
where: short stacking energy: -37.138
Base-Backbone interact. energy: 0.698
local terms energy: -74.764504
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -121.246625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.246625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.246625 (E_RNA)
where:
Base-Base interactions energy: -47.975
where: short stacking energy: -40.124
Base-Backbone interact. energy: 0.083
local terms energy: -73.354752
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -20.913
flat angles P-C4'-P energy: -17.510
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: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -125.299568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.299568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.299568 (E_RNA)
where:
Base-Base interactions energy: -46.061
where: short stacking energy: -38.642
Base-Backbone interact. energy: -0.278
local terms energy: -78.959990
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -10.890
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: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -109.271449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.271449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.271449 (E_RNA)
where:
Base-Base interactions energy: -33.126
where: short stacking energy: -32.724
Base-Backbone interact. energy: 0.340
local terms energy: -76.486053
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -290.690548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.690548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.690548 (E_RNA)
where:
Base-Base interactions energy: -179.939
where: short stacking energy: -94.795
Base-Backbone interact. energy: -0.178
local terms energy: -110.572963
where:
bonds (distance) C4'-P energy: -23.184
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -22.562
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -28.732
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: 2, replica: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -305.868410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.868410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.868410 (E_RNA)
where:
Base-Base interactions energy: -198.444
where: short stacking energy: -98.830
Base-Backbone interact. energy: -0.011
local terms energy: -107.413360
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -24.539
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -28.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -277.573955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.573955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.573955 (E_RNA)
where:
Base-Base interactions energy: -179.040
where: short stacking energy: -101.672
Base-Backbone interact. energy: -0.024
local terms energy: -98.510331
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -27.717
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: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -272.010353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.010353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.010353 (E_RNA)
where:
Base-Base interactions energy: -169.643
where: short stacking energy: -86.287
Base-Backbone interact. energy: -0.067
local terms energy: -102.300238
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -23.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -266.159004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.159004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.159004 (E_RNA)
where:
Base-Base interactions energy: -164.495
where: short stacking energy: -84.124
Base-Backbone interact. energy: 2.124
local terms energy: -103.788190
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -23.939
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -146.425646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.425646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.425646 (E_RNA)
where:
Base-Base interactions energy: -61.024
where: short stacking energy: -51.733
Base-Backbone interact. energy: -0.250
local terms energy: -85.151885
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -150.953628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.953628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.953628 (E_RNA)
where:
Base-Base interactions energy: -74.598
where: short stacking energy: -52.278
Base-Backbone interact. energy: -0.180
local terms energy: -76.175705
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -11.714
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: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -114.603645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.603645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.603645 (E_RNA)
where:
Base-Base interactions energy: -40.207
where: short stacking energy: -30.021
Base-Backbone interact. energy: -0.261
local terms energy: -74.135419
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -127.543313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.543313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.543313 (E_RNA)
where:
Base-Base interactions energy: -51.389
where: short stacking energy: -41.018
Base-Backbone interact. energy: -0.044
local terms energy: -76.110053
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -5.936
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: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -114.827515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.827515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.827515 (E_RNA)
where:
Base-Base interactions energy: -50.419
where: short stacking energy: -40.066
Base-Backbone interact. energy: -0.060
local terms energy: -64.347700
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: 1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -311.668016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.668016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.668016 (E_RNA)
where:
Base-Base interactions energy: -195.012
where: short stacking energy: -100.218
Base-Backbone interact. energy: -0.156
local terms energy: -116.499335
where:
bonds (distance) C4'-P energy: -24.911
bonds (distance) P-C4' energy: -24.934
flat angles C4'-P-C4' energy: -22.748
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -26.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -296.148029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.148029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.148029 (E_RNA)
where:
Base-Base interactions energy: -187.537
where: short stacking energy: -112.645
Base-Backbone interact. energy: -0.183
local terms energy: -108.427998
where:
bonds (distance) C4'-P energy: -25.886
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -32.153
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: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -271.281802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.281802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.281802 (E_RNA)
where:
Base-Base interactions energy: -160.802
where: short stacking energy: -97.167
Base-Backbone interact. energy: -0.105
local terms energy: -110.374321
where:
bonds (distance) C4'-P energy: -23.664
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: -26.859
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: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -284.036928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.036928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.036928 (E_RNA)
where:
Base-Base interactions energy: -174.199
where: short stacking energy: -90.326
Base-Backbone interact. energy: -0.004
local terms energy: -109.834263
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -31.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -267.048410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.048410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.048410 (E_RNA)
where:
Base-Base interactions energy: -154.123
where: short stacking energy: -93.270
Base-Backbone interact. energy: -0.386
local terms energy: -112.538671
where:
bonds (distance) C4'-P energy: -21.380
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -15.000
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: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -137.417895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.417895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.417895 (E_RNA)
where:
Base-Base interactions energy: -47.973
where: short stacking energy: -47.973
Base-Backbone interact. energy: 1.132
local terms energy: -90.576713
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -17.027
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -131.101201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.101201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.101201 (E_RNA)
where:
Base-Base interactions energy: -46.813
where: short stacking energy: -40.578
Base-Backbone interact. energy: -0.275
local terms energy: -84.013415
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -19.853
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -19.733
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: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -139.654076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.654076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.654076 (E_RNA)
where:
Base-Base interactions energy: -69.054
where: short stacking energy: -31.302
Base-Backbone interact. energy: -0.265
local terms energy: -70.335110
where:
bonds (distance) C4'-P energy: -23.417
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: 0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -119.712538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.712538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.712538 (E_RNA)
where:
Base-Base interactions energy: -41.857
where: short stacking energy: -41.857
Base-Backbone interact. energy: 0.281
local terms energy: -78.136167
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -25.257
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -102.064650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.064650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.064650 (E_RNA)
where:
Base-Base interactions energy: -39.303
where: short stacking energy: -31.180
Base-Backbone interact. energy: -1.030
local terms energy: -61.731120
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -0.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -329.557333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.557333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.557333 (E_RNA)
where:
Base-Base interactions energy: -210.281
where: short stacking energy: -113.393
Base-Backbone interact. energy: -0.117
local terms energy: -119.159543
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -22.188
flat angles C4'-P-C4' energy: -26.909
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -33.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -282.501685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.501685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.501685 (E_RNA)
where:
Base-Base interactions energy: -170.069
where: short stacking energy: -93.151
Base-Backbone interact. energy: -0.010
local terms energy: -112.422778
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -26.278
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -27.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -277.172888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.172888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.172888 (E_RNA)
where:
Base-Base interactions energy: -162.880
where: short stacking energy: -84.457
Base-Backbone interact. energy: -0.299
local terms energy: -113.994661
where:
bonds (distance) C4'-P energy: -25.279
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -25.408
flat angles P-C4'-P energy: -19.456
tors. eta vs tors. theta energy: -23.216
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: 8
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -262.528045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.528045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.528045 (E_RNA)
where:
Base-Base interactions energy: -159.148
where: short stacking energy: -91.281
Base-Backbone interact. energy: -0.029
local terms energy: -103.351728
where:
bonds (distance) C4'-P energy: -23.978
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -22.532
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -24.506
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: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -268.324643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.324643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.324643 (E_RNA)
where:
Base-Base interactions energy: -158.950
where: short stacking energy: -85.452
Base-Backbone interact. energy: -0.001
local terms energy: -109.373465
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -26.549
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: 339
Temperature: 1.150000
Total energy: -134.223429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.223429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.223429 (E_RNA)
where:
Base-Base interactions energy: -50.561
where: short stacking energy: -50.561
Base-Backbone interact. energy: -0.381
local terms energy: -83.281803
where:
bonds (distance) C4'-P energy: -25.096
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -13.243
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: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -126.965936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.965936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.965936 (E_RNA)
where:
Base-Base interactions energy: -56.962
where: short stacking energy: -46.562
Base-Backbone interact. energy: -0.327
local terms energy: -69.676823
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -123.761443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.761443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.761443 (E_RNA)
where:
Base-Base interactions energy: -56.443
where: short stacking energy: -39.649
Base-Backbone interact. energy: -1.228
local terms energy: -66.090233
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -9.995
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: 339
Temperature: 1.300000
Total energy: -105.756750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.756750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.756750 (E_RNA)
where:
Base-Base interactions energy: -41.500
where: short stacking energy: -35.974
Base-Backbone interact. energy: -0.194
local terms energy: -64.062647
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -22.378
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -110.943193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.943193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.943193 (E_RNA)
where:
Base-Base interactions energy: -45.455
where: short stacking energy: -45.455
Base-Backbone interact. energy: -0.327
local terms energy: -65.161654
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -323.529355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.529355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.529355 (E_RNA)
where:
Base-Base interactions energy: -201.872
where: short stacking energy: -108.423
Base-Backbone interact. energy: -1.137
local terms energy: -120.520179
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -32.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -273.839994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.839994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.839994 (E_RNA)
where:
Base-Base interactions energy: -175.214
where: short stacking energy: -89.692
Base-Backbone interact. energy: -0.201
local terms energy: -98.424861
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -15.079
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: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -279.173991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.173991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.173991 (E_RNA)
where:
Base-Base interactions energy: -170.740
where: short stacking energy: -96.002
Base-Backbone interact. energy: -0.300
local terms energy: -108.134444
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -26.949
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -25.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -273.783749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.783749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.783749 (E_RNA)
where:
Base-Base interactions energy: -168.680
where: short stacking energy: -102.465
Base-Backbone interact. energy: -0.032
local terms energy: -105.071700
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -30.842
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: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -149.074416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.074416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.074416 (E_RNA)
where:
Base-Base interactions energy: -58.602
where: short stacking energy: -50.596
Base-Backbone interact. energy: -0.337
local terms energy: -90.134573
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -27.327
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -226.575036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.575036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.575036 (E_RNA)
where:
Base-Base interactions energy: -136.539
where: short stacking energy: -77.730
Base-Backbone interact. energy: 0.296
local terms energy: -90.332613
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -19.768
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -18.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -147.042101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.042101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.042101 (E_RNA)
where:
Base-Base interactions energy: -75.855
where: short stacking energy: -44.074
Base-Backbone interact. energy: 0.788
local terms energy: -71.975787
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -118.483491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.483491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.483491 (E_RNA)
where:
Base-Base interactions energy: -39.241
where: short stacking energy: -34.384
Base-Backbone interact. energy: -0.076
local terms energy: -79.166288
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -7.448
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: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -113.597118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.597118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.597118 (E_RNA)
where:
Base-Base interactions energy: -51.969
where: short stacking energy: -45.334
Base-Backbone interact. energy: -0.536
local terms energy: -61.092135
where:
bonds (distance) C4'-P energy: -9.116
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -3.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -93.348108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.348108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.348108 (E_RNA)
where:
Base-Base interactions energy: -30.968
where: short stacking energy: -30.968
Base-Backbone interact. energy: -0.270
local terms energy: -62.109560
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: 3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -324.455975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.455975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.455975 (E_RNA)
where:
Base-Base interactions energy: -208.347
where: short stacking energy: -105.119
Base-Backbone interact. energy: -2.387
local terms energy: -113.721948
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -24.479
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -28.824
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: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -300.277159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.277159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.277159 (E_RNA)
where:
Base-Base interactions energy: -188.595
where: short stacking energy: -110.677
Base-Backbone interact. energy: -0.045
local terms energy: -111.636949
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -30.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -284.509394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.509394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.509394 (E_RNA)
where:
Base-Base interactions energy: -178.599
where: short stacking energy: -99.698
Base-Backbone interact. energy: -0.024
local terms energy: -105.886366
where:
bonds (distance) C4'-P energy: -24.422
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -29.197
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: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -267.283489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.283489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.283489 (E_RNA)
where:
Base-Base interactions energy: -160.386
where: short stacking energy: -81.903
Base-Backbone interact. energy: -0.247
local terms energy: -106.650718
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -25.545
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -24.236
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: 9
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -156.469717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.469717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.469717 (E_RNA)
where:
Base-Base interactions energy: -63.572
where: short stacking energy: -61.825
Base-Backbone interact. energy: -0.150
local terms energy: -92.747868
where:
bonds (distance) C4'-P energy: -24.021
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -12.970
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: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -223.325260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.325260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.325260 (E_RNA)
where:
Base-Base interactions energy: -133.257
where: short stacking energy: -72.330
Base-Backbone interact. energy: -0.162
local terms energy: -89.906404
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -12.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -119.812170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.812170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.812170 (E_RNA)
where:
Base-Base interactions energy: -62.223
where: short stacking energy: -49.254
Base-Backbone interact. energy: -0.135
local terms energy: -57.454410
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -4.649
tors. eta vs tors. theta energy: -6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -129.047791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.047791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.047791 (E_RNA)
where:
Base-Base interactions energy: -62.984
where: short stacking energy: -30.716
Base-Backbone interact. energy: -0.049
local terms energy: -66.015137
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: 2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -112.340336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.340336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.340336 (E_RNA)
where:
Base-Base interactions energy: -50.473
where: short stacking energy: -38.922
Base-Backbone interact. energy: -0.175
local terms energy: -61.692623
where:
bonds (distance) C4'-P energy: -21.984
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -3.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -100.703785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.703785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.703785 (E_RNA)
where:
Base-Base interactions energy: -32.405
where: short stacking energy: -32.405
Base-Backbone interact. energy: 0.504
local terms energy: -68.802880
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -12.525
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: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -322.270427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.270427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.270427 (E_RNA)
where:
Base-Base interactions energy: -204.209
where: short stacking energy: -107.437
Base-Backbone interact. energy: -0.236
local terms energy: -117.825640
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -28.176
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -32.466
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: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -280.251708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.251708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.251708 (E_RNA)
where:
Base-Base interactions energy: -167.429
where: short stacking energy: -85.113
Base-Backbone interact. energy: -1.057
local terms energy: -111.765772
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -24.337
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -18.987
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -270.295100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.295100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.295100 (E_RNA)
where:
Base-Base interactions energy: -164.400
where: short stacking energy: -84.298
Base-Backbone interact. energy: -0.052
local terms energy: -105.843164
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -25.186
flat angles C4'-P-C4' energy: -23.912
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -22.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -302.514589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.514589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.514589 (E_RNA)
where:
Base-Base interactions energy: -189.523
where: short stacking energy: -92.287
Base-Backbone interact. energy: -0.103
local terms energy: -112.889121
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -24.060
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -30.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -219.917738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.917738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.917738 (E_RNA)
where:
Base-Base interactions energy: -134.106
where: short stacking energy: -72.403
Base-Backbone interact. energy: -0.132
local terms energy: -85.679906
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -135.332731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.332731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.332731 (E_RNA)
where:
Base-Base interactions energy: -51.490
where: short stacking energy: -51.412
Base-Backbone interact. energy: 0.316
local terms energy: -84.158359
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -12.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -125.519407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.519407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.519407 (E_RNA)
where:
Base-Base interactions energy: -58.725
where: short stacking energy: -41.694
Base-Backbone interact. energy: -0.214
local terms energy: -66.579639
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -110.241435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.241435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.241435 (E_RNA)
where:
Base-Base interactions energy: -41.218
where: short stacking energy: -41.218
Base-Backbone interact. energy: -0.416
local terms energy: -68.607417
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -111.560220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.560220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.560220 (E_RNA)
where:
Base-Base interactions energy: -35.774
where: short stacking energy: -35.774
Base-Backbone interact. energy: 0.119
local terms energy: -75.905693
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -105.090904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.090904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.090904 (E_RNA)
where:
Base-Base interactions energy: -35.148
where: short stacking energy: -25.756
Base-Backbone interact. energy: -0.262
local terms energy: -69.681368
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: 1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -333.419430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.419430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.419430 (E_RNA)
where:
Base-Base interactions energy: -206.022
where: short stacking energy: -109.560
Base-Backbone interact. energy: -0.017
local terms energy: -127.380189
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -36.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -298.309708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.309708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.309708 (E_RNA)
where:
Base-Base interactions energy: -183.730
where: short stacking energy: -115.730
Base-Backbone interact. energy: -0.080
local terms energy: -114.498903
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -25.262
flat angles P-C4'-P energy: -15.477
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: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -281.874356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.874356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.874356 (E_RNA)
where:
Base-Base interactions energy: -166.697
where: short stacking energy: -93.408
Base-Backbone interact. energy: -0.931
local terms energy: -114.246265
where:
bonds (distance) C4'-P energy: -19.857
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -24.581
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -27.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -264.257712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.257712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.257712 (E_RNA)
where:
Base-Base interactions energy: -158.708
where: short stacking energy: -73.787
Base-Backbone interact. energy: -0.138
local terms energy: -105.412058
where:
bonds (distance) C4'-P energy: -23.614
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -262.518812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.518812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.518812 (E_RNA)
where:
Base-Base interactions energy: -158.693
where: short stacking energy: -84.734
Base-Backbone interact. energy: -0.104
local terms energy: -103.721738
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -23.845
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: 343
Temperature: 1.150000
Total energy: -143.672800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.672800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.672800 (E_RNA)
where:
Base-Base interactions energy: -58.196
where: short stacking energy: -50.778
Base-Backbone interact. energy: -0.081
local terms energy: -85.395231
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -12.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -128.615821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.615821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.615821 (E_RNA)
where:
Base-Base interactions energy: -56.905
where: short stacking energy: -41.253
Base-Backbone interact. energy: -0.372
local terms energy: -71.339216
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -124.429891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.429891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.429891 (E_RNA)
where:
Base-Base interactions energy: -52.111
where: short stacking energy: -52.111
Base-Backbone interact. energy: -0.011
local terms energy: -72.307628
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -160.851164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.851164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.851164 (E_RNA)
where:
Base-Base interactions energy: -87.525
where: short stacking energy: -55.937
Base-Backbone interact. energy: -0.209
local terms energy: -73.117219
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -13.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -99.514718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.514718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.514718 (E_RNA)
where:
Base-Base interactions energy: -37.532
where: short stacking energy: -37.532
Base-Backbone interact. energy: 1.546
local terms energy: -63.528931
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -332.138459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.138459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.138459 (E_RNA)
where:
Base-Base interactions energy: -209.927
where: short stacking energy: -104.568
Base-Backbone interact. energy: 0.353
local terms energy: -122.564488
where:
bonds (distance) C4'-P energy: -24.066
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -25.030
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -31.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -285.799884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.799884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.799884 (E_RNA)
where:
Base-Base interactions energy: -167.636
where: short stacking energy: -109.101
Base-Backbone interact. energy: -0.096
local terms energy: -118.068331
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -26.691
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -31.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -299.255379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.255379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.255379 (E_RNA)
where:
Base-Base interactions energy: -194.204
where: short stacking energy: -103.505
Base-Backbone interact. energy: -0.002
local terms energy: -105.049277
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -31.744
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: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -271.197772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.197772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.197772 (E_RNA)
where:
Base-Base interactions energy: -155.564
where: short stacking energy: -93.116
Base-Backbone interact. energy: -0.367
local terms energy: -115.266774
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -24.089
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -27.667
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: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -250.250404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.250404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.250404 (E_RNA)
where:
Base-Base interactions energy: -138.419
where: short stacking energy: -75.260
Base-Backbone interact. energy: -0.145
local terms energy: -111.686976
where:
bonds (distance) C4'-P energy: -20.088
bonds (distance) P-C4' energy: -26.665
flat angles C4'-P-C4' energy: -27.812
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -20.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -149.279940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.279940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.279940 (E_RNA)
where:
Base-Base interactions energy: -65.832
where: short stacking energy: -56.783
Base-Backbone interact. energy: -1.828
local terms energy: -81.619784
where:
bonds (distance) C4'-P energy: -23.231
bonds (distance) P-C4' energy: -21.859
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -11.494
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: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -134.541975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.541975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.541975 (E_RNA)
where:
Base-Base interactions energy: -48.463
where: short stacking energy: -46.429
Base-Backbone interact. energy: -0.010
local terms energy: -86.068621
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -113.855985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.855985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.855985 (E_RNA)
where:
Base-Base interactions energy: -48.679
where: short stacking energy: -46.015
Base-Backbone interact. energy: -0.111
local terms energy: -65.065404
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -114.097061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.097061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.097061 (E_RNA)
where:
Base-Base interactions energy: -30.998
where: short stacking energy: -30.998
Base-Backbone interact. energy: -0.351
local terms energy: -82.748636
where:
bonds (distance) C4'-P energy: -23.978
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -149.368574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.368574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.368574 (E_RNA)
where:
Base-Base interactions energy: -87.062
where: short stacking energy: -26.819
Base-Backbone interact. energy: -0.350
local terms energy: -61.955727
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: 1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -329.930644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.930644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.930644 (E_RNA)
where:
Base-Base interactions energy: -208.615
where: short stacking energy: -111.425
Base-Backbone interact. energy: -0.695
local terms energy: -120.620232
where:
bonds (distance) C4'-P energy: -23.208
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -34.373
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: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -281.519435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.519435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.519435 (E_RNA)
where:
Base-Base interactions energy: -178.078
where: short stacking energy: -76.946
Base-Backbone interact. energy: -0.245
local terms energy: -103.196913
where:
bonds (distance) C4'-P energy: -23.726
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -18.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -280.724559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.724559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.724559 (E_RNA)
where:
Base-Base interactions energy: -170.003
where: short stacking energy: -101.558
Base-Backbone interact. energy: -0.059
local terms energy: -110.662519
where:
bonds (distance) C4'-P energy: -21.342
bonds (distance) P-C4' energy: -22.709
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -29.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -278.670029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.670029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.670029 (E_RNA)
where:
Base-Base interactions energy: -167.084
where: short stacking energy: -97.147
Base-Backbone interact. energy: -0.417
local terms energy: -111.168754
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -29.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -250.345318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.345318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.345318 (E_RNA)
where:
Base-Base interactions energy: -142.706
where: short stacking energy: -75.318
Base-Backbone interact. energy: 2.525
local terms energy: -110.164580
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -22.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -147.013037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.013037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.013037 (E_RNA)
where:
Base-Base interactions energy: -58.533
where: short stacking energy: -57.335
Base-Backbone interact. energy: -0.092
local terms energy: -88.387685
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -9.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -128.073845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.073845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.073845 (E_RNA)
where:
Base-Base interactions energy: -58.018
where: short stacking energy: -34.507
Base-Backbone interact. energy: -0.786
local terms energy: -69.269961
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -24.101
flat angles P-C4'-P energy: -12.941
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: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -115.282366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.282366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.282366 (E_RNA)
where:
Base-Base interactions energy: -52.020
where: short stacking energy: -47.947
Base-Backbone interact. energy: -0.875
local terms energy: -62.387686
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -1.411
tors. eta vs tors. theta energy: -10.027
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: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -108.584256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.584256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.584256 (E_RNA)
where:
Base-Base interactions energy: -43.140
where: short stacking energy: -42.724
Base-Backbone interact. energy: -0.630
local terms energy: -64.814654
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -130.992942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.992942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.992942 (E_RNA)
where:
Base-Base interactions energy: -65.631
where: short stacking energy: -31.601
Base-Backbone interact. energy: -0.470
local terms energy: -64.891659
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: 4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -286.998187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.998187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.998187 (E_RNA)
where:
Base-Base interactions energy: -178.496
where: short stacking energy: -102.912
Base-Backbone interact. energy: -0.086
local terms energy: -108.416139
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -24.922
flat angles C4'-P-C4' energy: -24.437
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -23.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -324.303311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.303311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.303311 (E_RNA)
where:
Base-Base interactions energy: -209.836
where: short stacking energy: -105.860
Base-Backbone interact. energy: -0.047
local terms energy: -114.420130
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -21.913
flat angles C4'-P-C4' energy: -24.119
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -34.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -293.090767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.090767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.090767 (E_RNA)
where:
Base-Base interactions energy: -183.400
where: short stacking energy: -98.334
Base-Backbone interact. energy: -0.018
local terms energy: -109.672336
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -20.562
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: 4, replica: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -256.284056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.284056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.284056 (E_RNA)
where:
Base-Base interactions energy: -165.413
where: short stacking energy: -90.645
Base-Backbone interact. energy: -0.014
local terms energy: -90.856788
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -10.298
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: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -252.281875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.281875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.281875 (E_RNA)
where:
Base-Base interactions energy: -157.996
where: short stacking energy: -73.409
Base-Backbone interact. energy: -0.364
local terms energy: -93.922247
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -135.045208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.045208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.045208 (E_RNA)
where:
Base-Base interactions energy: -55.283
where: short stacking energy: -53.571
Base-Backbone interact. energy: 3.728
local terms energy: -83.489704
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -10.454
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: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -117.563186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.563186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.563186 (E_RNA)
where:
Base-Base interactions energy: -43.252
where: short stacking energy: -27.399
Base-Backbone interact. energy: -0.625
local terms energy: -73.686222
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -22.908
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -120.280149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.280149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.280149 (E_RNA)
where:
Base-Base interactions energy: -41.166
where: short stacking energy: -41.166
Base-Backbone interact. energy: -0.338
local terms energy: -78.776037
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -5.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -99.753244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.753244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.753244 (E_RNA)
where:
Base-Base interactions energy: -33.435
where: short stacking energy: -27.066
Base-Backbone interact. energy: -0.705
local terms energy: -65.613656
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -11.077
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: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -112.783845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.783845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.783845 (E_RNA)
where:
Base-Base interactions energy: -40.399
where: short stacking energy: -24.515
Base-Backbone interact. energy: -0.419
local terms energy: -71.966054
where:
bonds (distance) C4'-P energy: -24.803
bonds (distance) P-C4' energy: -26.655
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: 3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -307.561318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.561318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.561318 (E_RNA)
where:
Base-Base interactions energy: -194.829
where: short stacking energy: -119.142
Base-Backbone interact. energy: -0.024
local terms energy: -112.708590
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -35.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -307.993093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.993093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.993093 (E_RNA)
where:
Base-Base interactions energy: -186.910
where: short stacking energy: -111.622
Base-Backbone interact. energy: -0.042
local terms energy: -121.040481
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -26.103
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -35.032
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: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -298.989374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.989374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.989374 (E_RNA)
where:
Base-Base interactions energy: -196.077
where: short stacking energy: -104.389
Base-Backbone interact. energy: -0.086
local terms energy: -102.825873
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -28.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -264.360637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.360637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.360637 (E_RNA)
where:
Base-Base interactions energy: -162.509
where: short stacking energy: -86.013
Base-Backbone interact. energy: -0.150
local terms energy: -101.701267
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -250.037213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.037213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.037213 (E_RNA)
where:
Base-Base interactions energy: -151.185
where: short stacking energy: -76.962
Base-Backbone interact. energy: -0.041
local terms energy: -98.810725
where:
bonds (distance) C4'-P energy: -24.381
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -138.015788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.015788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.015788 (E_RNA)
where:
Base-Base interactions energy: -58.194
where: short stacking energy: -52.190
Base-Backbone interact. energy: -0.030
local terms energy: -79.792374
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -128.490967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.490967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.490967 (E_RNA)
where:
Base-Base interactions energy: -43.268
where: short stacking energy: -43.268
Base-Backbone interact. energy: -1.346
local terms energy: -83.877491
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -6.608
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: 3
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -117.996679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.996679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.996679 (E_RNA)
where:
Base-Base interactions energy: -47.527
where: short stacking energy: -35.966
Base-Backbone interact. energy: 0.055
local terms energy: -70.524952
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -8.633
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: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -112.538810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.538810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.538810 (E_RNA)
where:
Base-Base interactions energy: -40.841
where: short stacking energy: -32.174
Base-Backbone interact. energy: -0.151
local terms energy: -71.547356
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -7.910
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: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -110.593138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.593138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.593138 (E_RNA)
where:
Base-Base interactions energy: -35.342
where: short stacking energy: -35.342
Base-Backbone interact. energy: -0.172
local terms energy: -75.078677
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -316.950512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.950512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.950512 (E_RNA)
where:
Base-Base interactions energy: -202.748
where: short stacking energy: -119.390
Base-Backbone interact. energy: -0.138
local terms energy: -114.064684
where:
bonds (distance) C4'-P energy: -22.303
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -31.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -291.576550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.576550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.576550 (E_RNA)
where:
Base-Base interactions energy: -173.646
where: short stacking energy: -103.490
Base-Backbone interact. energy: -0.018
local terms energy: -117.913247
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -24.444
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -33.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -313.198590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.198590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.198590 (E_RNA)
where:
Base-Base interactions energy: -199.885
where: short stacking energy: -106.972
Base-Backbone interact. energy: -0.092
local terms energy: -113.220967
where:
bonds (distance) C4'-P energy: -19.219
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -33.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -276.016584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.016584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.016584 (E_RNA)
where:
Base-Base interactions energy: -168.136
where: short stacking energy: -93.504
Base-Backbone interact. energy: -0.514
local terms energy: -107.365969
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -25.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -235.448536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.448536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.448536 (E_RNA)
where:
Base-Base interactions energy: -143.068
where: short stacking energy: -73.887
Base-Backbone interact. energy: -0.479
local terms energy: -91.901410
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -137.217766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.217766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.217766 (E_RNA)
where:
Base-Base interactions energy: -68.146
where: short stacking energy: -47.475
Base-Backbone interact. energy: -0.150
local terms energy: -68.920908
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: 0.489
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: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -127.558027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.558027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.558027 (E_RNA)
where:
Base-Base interactions energy: -56.164
where: short stacking energy: -38.824
Base-Backbone interact. energy: -0.903
local terms energy: -70.490397
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -116.164900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.164900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.164900 (E_RNA)
where:
Base-Base interactions energy: -48.994
where: short stacking energy: -27.889
Base-Backbone interact. energy: -0.164
local terms energy: -67.007237
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -24.659
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: 7.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -108.939482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.939482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.939482 (E_RNA)
where:
Base-Base interactions energy: -30.882
where: short stacking energy: -30.431
Base-Backbone interact. energy: -0.475
local terms energy: -77.582194
where:
bonds (distance) C4'-P energy: -23.863
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -99.138419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.138419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.138419 (E_RNA)
where:
Base-Base interactions energy: -36.980
where: short stacking energy: -36.980
Base-Backbone interact. energy: -0.178
local terms energy: -61.980150
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -320.328424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.328424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.328424 (E_RNA)
where:
Base-Base interactions energy: -198.428
where: short stacking energy: -112.053
Base-Backbone interact. energy: -0.001
local terms energy: -121.899330
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -34.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -316.192323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.192323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.192323 (E_RNA)
where:
Base-Base interactions energy: -202.849
where: short stacking energy: -106.562
Base-Backbone interact. energy: -0.097
local terms energy: -113.245967
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -29.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -277.972837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.972837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.972837 (E_RNA)
where:
Base-Base interactions energy: -164.391
where: short stacking energy: -90.189
Base-Backbone interact. energy: 1.024
local terms energy: -114.606497
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -24.729
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -25.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -291.303730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.303730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.303730 (E_RNA)
where:
Base-Base interactions energy: -184.229
where: short stacking energy: -100.053
Base-Backbone interact. energy: -0.112
local terms energy: -106.963029
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -29.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -232.322847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.322847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.322847 (E_RNA)
where:
Base-Base interactions energy: -147.596
where: short stacking energy: -77.588
Base-Backbone interact. energy: -1.446
local terms energy: -83.281605
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -10.327
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: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -132.455480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.455480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.455480 (E_RNA)
where:
Base-Base interactions energy: -67.855
where: short stacking energy: -39.951
Base-Backbone interact. energy: -0.368
local terms energy: -64.232875
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: 0.423
tors. eta vs tors. theta energy: -3.370
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: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -132.287970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.287970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.287970 (E_RNA)
where:
Base-Base interactions energy: -43.435
where: short stacking energy: -39.778
Base-Backbone interact. energy: 0.666
local terms energy: -89.518500
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -23.261
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -116.209222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.209222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.209222 (E_RNA)
where:
Base-Base interactions energy: -36.795
where: short stacking energy: -35.055
Base-Backbone interact. energy: -0.386
local terms energy: -79.027625
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -10.395
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: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -115.411573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.411573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.411573 (E_RNA)
where:
Base-Base interactions energy: -41.235
where: short stacking energy: -32.823
Base-Backbone interact. energy: -0.653
local terms energy: -73.523974
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -104.885342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.885342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.885342 (E_RNA)
where:
Base-Base interactions energy: -31.976
where: short stacking energy: -31.211
Base-Backbone interact. energy: 1.049
local terms energy: -73.958270
where:
bonds (distance) C4'-P energy: -26.439
bonds (distance) P-C4' energy: -18.975
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -315.540097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.540097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.540097 (E_RNA)
where:
Base-Base interactions energy: -206.791
where: short stacking energy: -104.951
Base-Backbone interact. energy: 1.053
local terms energy: -109.802397
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -29.670
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: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -299.556660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.556660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.556660 (E_RNA)
where:
Base-Base interactions energy: -189.033
where: short stacking energy: -105.334
Base-Backbone interact. energy: -0.025
local terms energy: -110.498454
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -34.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -271.197686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.197686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.197686 (E_RNA)
where:
Base-Base interactions energy: -162.700
where: short stacking energy: -94.393
Base-Backbone interact. energy: -0.087
local terms energy: -108.410645
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -27.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -271.710057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.710057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.710057 (E_RNA)
where:
Base-Base interactions energy: -179.405
where: short stacking energy: -97.320
Base-Backbone interact. energy: -0.114
local terms energy: -92.191100
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -24.500
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: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -243.048373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.048373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.048373 (E_RNA)
where:
Base-Base interactions energy: -138.322
where: short stacking energy: -81.925
Base-Backbone interact. energy: -0.300
local terms energy: -104.425495
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -21.513
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -24.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -149.608991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.608991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.608991 (E_RNA)
where:
Base-Base interactions energy: -64.376
where: short stacking energy: -52.764
Base-Backbone interact. energy: -0.408
local terms energy: -84.824595
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -25.939
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -116.276637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.276637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.276637 (E_RNA)
where:
Base-Base interactions energy: -35.282
where: short stacking energy: -35.282
Base-Backbone interact. energy: -0.283
local terms energy: -80.711806
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -4.096
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: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -127.669053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.669053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.669053 (E_RNA)
where:
Base-Base interactions energy: -52.015
where: short stacking energy: -36.278
Base-Backbone interact. energy: -0.428
local terms energy: -75.225513
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -7.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -113.690939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.690939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.690939 (E_RNA)
where:
Base-Base interactions energy: -36.844
where: short stacking energy: -36.844
Base-Backbone interact. energy: -0.351
local terms energy: -76.496166
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -5.965
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: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -102.676897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.676897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.676897 (E_RNA)
where:
Base-Base interactions energy: -39.821
where: short stacking energy: -26.144
Base-Backbone interact. energy: -0.641
local terms energy: -62.214464
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: 2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -323.815845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.815845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.815845 (E_RNA)
where:
Base-Base interactions energy: -202.457
where: short stacking energy: -102.630
Base-Backbone interact. energy: -2.034
local terms energy: -119.324236
where:
bonds (distance) C4'-P energy: -23.801
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -21.471
tors. eta vs tors. theta energy: -31.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -283.312840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.312840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.312840 (E_RNA)
where:
Base-Base interactions energy: -182.891
where: short stacking energy: -101.831
Base-Backbone interact. energy: 0.280
local terms energy: -100.701772
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -24.493
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: 351
Temperature: 1.000000
Total energy: -287.320634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.320634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.320634 (E_RNA)
where:
Base-Base interactions energy: -178.535
where: short stacking energy: -98.557
Base-Backbone interact. energy: -0.104
local terms energy: -108.682012
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -31.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -277.881654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.881654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.881654 (E_RNA)
where:
Base-Base interactions energy: -170.944
where: short stacking energy: -104.480
Base-Backbone interact. energy: -0.072
local terms energy: -106.866160
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -25.564
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -29.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -229.851401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.851401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.851401 (E_RNA)
where:
Base-Base interactions energy: -138.686
where: short stacking energy: -73.605
Base-Backbone interact. energy: 1.889
local terms energy: -93.054030
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -25.070
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -12.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -136.108641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.108641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.108641 (E_RNA)
where:
Base-Base interactions energy: -46.847
where: short stacking energy: -46.847
Base-Backbone interact. energy: -0.187
local terms energy: -89.074023
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -22.066
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -7.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -147.607942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.607942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.607942 (E_RNA)
where:
Base-Base interactions energy: -62.784
where: short stacking energy: -50.322
Base-Backbone interact. energy: -0.309
local terms energy: -84.514400
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -21.506
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -13.309
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: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -130.020119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.020119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.020119 (E_RNA)
where:
Base-Base interactions energy: -56.749
where: short stacking energy: -40.138
Base-Backbone interact. energy: -0.216
local terms energy: -73.055192
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -3.776
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: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -128.221332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.221332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.221332 (E_RNA)
where:
Base-Base interactions energy: -66.982
where: short stacking energy: -47.245
Base-Backbone interact. energy: 0.152
local terms energy: -61.390511
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -4.106
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -132.469188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.469188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.469188 (E_RNA)
where:
Base-Base interactions energy: -68.537
where: short stacking energy: -43.400
Base-Backbone interact. energy: -0.252
local terms energy: -63.680892
where:
bonds (distance) C4'-P energy: -6.773
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -327.101448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.101448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.101448 (E_RNA)
where:
Base-Base interactions energy: -209.747
where: short stacking energy: -104.238
Base-Backbone interact. energy: -2.253
local terms energy: -115.102018
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: -31.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -278.760994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.760994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.760994 (E_RNA)
where:
Base-Base interactions energy: -173.938
where: short stacking energy: -94.742
Base-Backbone interact. energy: -1.090
local terms energy: -103.732674
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -26.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -279.307778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.307778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.307778 (E_RNA)
where:
Base-Base interactions energy: -164.726
where: short stacking energy: -95.221
Base-Backbone interact. energy: -0.190
local terms energy: -114.391588
where:
bonds (distance) C4'-P energy: -20.228
bonds (distance) P-C4' energy: -23.334
flat angles C4'-P-C4' energy: -25.262
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -28.819
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: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -268.951046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.951046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.951046 (E_RNA)
where:
Base-Base interactions energy: -156.927
where: short stacking energy: -95.225
Base-Backbone interact. energy: -0.006
local terms energy: -112.018719
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -25.026
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -28.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -223.864380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.864380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.864380 (E_RNA)
where:
Base-Base interactions energy: -129.504
where: short stacking energy: -67.053
Base-Backbone interact. energy: -0.237
local terms energy: -94.123264
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -17.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -142.700021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.700021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.700021 (E_RNA)
where:
Base-Base interactions energy: -65.497
where: short stacking energy: -65.497
Base-Backbone interact. energy: 3.180
local terms energy: -80.383186
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -11.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -143.662882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.662882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.662882 (E_RNA)
where:
Base-Base interactions energy: -62.015
where: short stacking energy: -49.071
Base-Backbone interact. energy: 2.130
local terms energy: -83.777461
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -21.836
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -12.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -116.396339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.396339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.396339 (E_RNA)
where:
Base-Base interactions energy: -45.783
where: short stacking energy: -34.819
Base-Backbone interact. energy: -0.200
local terms energy: -70.412899
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -174.021680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.021680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.021680 (E_RNA)
where:
Base-Base interactions energy: -98.436
where: short stacking energy: -49.904
Base-Backbone interact. energy: 0.907
local terms energy: -76.492461
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -5.162
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: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -104.523636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.523636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.523636 (E_RNA)
where:
Base-Base interactions energy: -40.022
where: short stacking energy: -34.193
Base-Backbone interact. energy: -0.418
local terms energy: -64.083448
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -328.446280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.446280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.446280 (E_RNA)
where:
Base-Base interactions energy: -211.883
where: short stacking energy: -106.898
Base-Backbone interact. energy: -0.030
local terms energy: -116.533118
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -22.715
flat angles C4'-P-C4' energy: -24.510
flat angles P-C4'-P energy: -15.888
tors. eta vs tors. theta energy: -32.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -295.591563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.591563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.591563 (E_RNA)
where:
Base-Base interactions energy: -173.089
where: short stacking energy: -98.794
Base-Backbone interact. energy: -0.002
local terms energy: -122.500282
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -27.603
flat angles C4'-P-C4' energy: -26.006
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -31.089
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: 353
Temperature: 1.000000
Total energy: -256.684308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.684308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.684308 (E_RNA)
where:
Base-Base interactions energy: -153.670
where: short stacking energy: -81.602
Base-Backbone interact. energy: -0.670
local terms energy: -102.344482
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -20.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -259.476880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.476880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.476880 (E_RNA)
where:
Base-Base interactions energy: -161.182
where: short stacking energy: -79.557
Base-Backbone interact. energy: 0.415
local terms energy: -98.709447
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -21.042
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: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -234.770616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.770616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.770616 (E_RNA)
where:
Base-Base interactions energy: -141.129
where: short stacking energy: -75.822
Base-Backbone interact. energy: -0.273
local terms energy: -93.368331
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -21.670
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -140.782195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.782195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.782195 (E_RNA)
where:
Base-Base interactions energy: -62.576
where: short stacking energy: -62.576
Base-Backbone interact. energy: -0.379
local terms energy: -77.827597
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -12.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -116.626756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.626756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.626756 (E_RNA)
where:
Base-Base interactions energy: -37.940
where: short stacking energy: -37.940
Base-Backbone interact. energy: -0.632
local terms energy: -78.054767
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -164.508174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.508174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.508174 (E_RNA)
where:
Base-Base interactions energy: -88.403
where: short stacking energy: -52.908
Base-Backbone interact. energy: -0.228
local terms energy: -75.877899
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -122.355524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.355524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.355524 (E_RNA)
where:
Base-Base interactions energy: -48.310
where: short stacking energy: -38.179
Base-Backbone interact. energy: -0.168
local terms energy: -73.877978
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -18.950
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -13.946
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: 10, replica: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -109.522419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.522419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.522419 (E_RNA)
where:
Base-Base interactions energy: -60.466
where: short stacking energy: -43.437
Base-Backbone interact. energy: -0.206
local terms energy: -48.850500
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: 1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -326.121668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.121668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.121668 (E_RNA)
where:
Base-Base interactions energy: -214.793
where: short stacking energy: -108.719
Base-Backbone interact. energy: -0.107
local terms energy: -111.221588
where:
bonds (distance) C4'-P energy: -23.028
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -31.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -295.104697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.104697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.104697 (E_RNA)
where:
Base-Base interactions energy: -184.194
where: short stacking energy: -101.625
Base-Backbone interact. energy: -3.180
local terms energy: -107.730166
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -26.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -268.755244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.755244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.755244 (E_RNA)
where:
Base-Base interactions energy: -171.533
where: short stacking energy: -94.981
Base-Backbone interact. energy: -0.016
local terms energy: -97.205517
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -24.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -263.370271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.370271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.370271 (E_RNA)
where:
Base-Base interactions energy: -165.318
where: short stacking energy: -87.674
Base-Backbone interact. energy: -0.075
local terms energy: -97.976899
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -14.384
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: 5, replica: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -226.784919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.784919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.784919 (E_RNA)
where:
Base-Base interactions energy: -132.932
where: short stacking energy: -67.132
Base-Backbone interact. energy: 0.671
local terms energy: -94.523344
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -23.751
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -145.966296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.966296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.966296 (E_RNA)
where:
Base-Base interactions energy: -60.452
where: short stacking energy: -60.419
Base-Backbone interact. energy: -0.312
local terms energy: -85.201825
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -14.125
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: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -121.958651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.958651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.958651 (E_RNA)
where:
Base-Base interactions energy: -39.265
where: short stacking energy: -35.407
Base-Backbone interact. energy: 0.098
local terms energy: -82.791395
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -18.918
tors. eta vs tors. theta energy: -1.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -133.783135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.783135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.783135 (E_RNA)
where:
Base-Base interactions energy: -54.929
where: short stacking energy: -54.881
Base-Backbone interact. energy: 1.183
local terms energy: -80.036552
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -9.016
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: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -125.222989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.222989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.222989 (E_RNA)
where:
Base-Base interactions energy: -43.496
where: short stacking energy: -44.101
Base-Backbone interact. energy: -0.071
local terms energy: -81.656652
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -12.076
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: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -113.651153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.651153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.651153 (E_RNA)
where:
Base-Base interactions energy: -52.691
where: short stacking energy: -36.117
Base-Backbone interact. energy: -0.397
local terms energy: -60.562983
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -17.197
tors. eta vs tors. theta energy: 0.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -323.117580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.117580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.117580 (E_RNA)
where:
Base-Base interactions energy: -209.688
where: short stacking energy: -111.048
Base-Backbone interact. energy: -0.057
local terms energy: -113.373040
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -31.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -296.142003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.142003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.142003 (E_RNA)
where:
Base-Base interactions energy: -180.915
where: short stacking energy: -106.126
Base-Backbone interact. energy: -2.271
local terms energy: -112.956491
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -31.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -273.330099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.330099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.330099 (E_RNA)
where:
Base-Base interactions energy: -163.674
where: short stacking energy: -93.820
Base-Backbone interact. energy: -0.056
local terms energy: -109.600293
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -24.397
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -27.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -262.843731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.843731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.843731 (E_RNA)
where:
Base-Base interactions energy: -163.261
where: short stacking energy: -88.742
Base-Backbone interact. energy: -0.116
local terms energy: -99.467004
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -24.714
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: 1
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -240.045512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.045512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.045512 (E_RNA)
where:
Base-Base interactions energy: -141.646
where: short stacking energy: -76.749
Base-Backbone interact. energy: -0.038
local terms energy: -98.362006
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -166.624269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.624269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.624269 (E_RNA)
where:
Base-Base interactions energy: -69.533
where: short stacking energy: -67.743
Base-Backbone interact. energy: -0.194
local terms energy: -96.897189
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -19.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -141.250835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.250835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.250835 (E_RNA)
where:
Base-Base interactions energy: -80.709
where: short stacking energy: -45.804
Base-Backbone interact. energy: -0.179
local terms energy: -60.362810
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: 0.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -117.683671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.683671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.683671 (E_RNA)
where:
Base-Base interactions energy: -46.547
where: short stacking energy: -46.547
Base-Backbone interact. energy: -0.124
local terms energy: -71.012514
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -23.052
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -118.074564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.074564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.074564 (E_RNA)
where:
Base-Base interactions energy: -39.275
where: short stacking energy: -38.312
Base-Backbone interact. energy: -0.194
local terms energy: -78.605668
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -25.634
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -6.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -124.269498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.269498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.269498 (E_RNA)
where:
Base-Base interactions energy: -63.759
where: short stacking energy: -40.183
Base-Backbone interact. energy: -0.068
local terms energy: -60.442498
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: 0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -325.496806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.496806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.496806 (E_RNA)
where:
Base-Base interactions energy: -211.324
where: short stacking energy: -102.684
Base-Backbone interact. energy: -0.014
local terms energy: -114.158760
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -26.561
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -30.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -271.210528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.210528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.210528 (E_RNA)
where:
Base-Base interactions energy: -168.593
where: short stacking energy: -90.761
Base-Backbone interact. energy: -0.396
local terms energy: -102.220926
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -267.676510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.676510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.676510 (E_RNA)
where:
Base-Base interactions energy: -160.361
where: short stacking energy: -89.966
Base-Backbone interact. energy: -0.466
local terms energy: -106.849489
where:
bonds (distance) C4'-P energy: -23.415
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -25.313
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -25.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -245.903025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.903025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.903025 (E_RNA)
where:
Base-Base interactions energy: -151.587
where: short stacking energy: -76.667
Base-Backbone interact. energy: -0.144
local terms energy: -94.172271
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -21.317
flat angles P-C4'-P energy: -14.389
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: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -250.922886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.922886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.922886 (E_RNA)
where:
Base-Base interactions energy: -152.001
where: short stacking energy: -81.287
Base-Backbone interact. energy: -0.798
local terms energy: -98.123879
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -20.018
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -22.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -139.908476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.908476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.908476 (E_RNA)
where:
Base-Base interactions energy: -64.125
where: short stacking energy: -52.355
Base-Backbone interact. energy: -0.238
local terms energy: -75.545352
where:
bonds (distance) C4'-P energy: -23.875
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -8.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -167.531234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.531234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.531234 (E_RNA)
where:
Base-Base interactions energy: -101.538
where: short stacking energy: -56.770
Base-Backbone interact. energy: -1.159
local terms energy: -64.833913
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -7.010
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: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -109.435004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.435004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.435004 (E_RNA)
where:
Base-Base interactions energy: -43.690
where: short stacking energy: -42.854
Base-Backbone interact. energy: -0.187
local terms energy: -65.557754
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -135.142982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.142982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.142982 (E_RNA)
where:
Base-Base interactions energy: -61.709
where: short stacking energy: -51.610
Base-Backbone interact. energy: -0.097
local terms energy: -73.337275
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -17.422
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -9.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -99.482163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.482163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.482163 (E_RNA)
where:
Base-Base interactions energy: -40.054
where: short stacking energy: -38.754
Base-Backbone interact. energy: -0.227
local terms energy: -59.200777
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: 4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -318.834455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.834455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.834455 (E_RNA)
where:
Base-Base interactions energy: -200.374
where: short stacking energy: -110.855
Base-Backbone interact. energy: -0.742
local terms energy: -117.717769
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -26.810
flat angles P-C4'-P energy: -19.867
tors. eta vs tors. theta energy: -33.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -279.910439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.910439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.910439 (E_RNA)
where:
Base-Base interactions energy: -180.335
where: short stacking energy: -95.112
Base-Backbone interact. energy: -0.187
local terms energy: -99.388589
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -25.175
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -22.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -289.965696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.965696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.965696 (E_RNA)
where:
Base-Base interactions energy: -183.664
where: short stacking energy: -103.580
Base-Backbone interact. energy: -0.035
local terms energy: -106.267163
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -21.675
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -29.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -251.557940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.557940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.557940 (E_RNA)
where:
Base-Base interactions energy: -158.394
where: short stacking energy: -85.119
Base-Backbone interact. energy: -0.595
local terms energy: -92.569208
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -18.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -241.576675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.576675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.576675 (E_RNA)
where:
Base-Base interactions energy: -151.300
where: short stacking energy: -83.825
Base-Backbone interact. energy: -0.333
local terms energy: -89.944240
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -23.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -190.599264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.599264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.599264 (E_RNA)
where:
Base-Base interactions energy: -124.501
where: short stacking energy: -61.589
Base-Backbone interact. energy: -0.092
local terms energy: -66.006874
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -4.100
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: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -122.843820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.843820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.843820 (E_RNA)
where:
Base-Base interactions energy: -43.753
where: short stacking energy: -22.558
Base-Backbone interact. energy: -0.373
local terms energy: -78.718080
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -118.186249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.186249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.186249 (E_RNA)
where:
Base-Base interactions energy: -42.775
where: short stacking energy: -37.574
Base-Backbone interact. energy: 0.615
local terms energy: -76.026579
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -5.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -114.697211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.697211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.697211 (E_RNA)
where:
Base-Base interactions energy: -49.295
where: short stacking energy: -43.500
Base-Backbone interact. energy: -0.368
local terms energy: -65.034526
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -2.678
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -104.868638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.868638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.868638 (E_RNA)
where:
Base-Base interactions energy: -30.782
where: short stacking energy: -26.193
Base-Backbone interact. energy: -0.371
local terms energy: -73.715400
where:
bonds (distance) C4'-P energy: -22.742
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: 0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -316.024155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.024155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.024155 (E_RNA)
where:
Base-Base interactions energy: -199.693
where: short stacking energy: -101.953
Base-Backbone interact. energy: -0.180
local terms energy: -116.151384
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -33.184
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: 358
Temperature: 0.950000
Total energy: -282.491975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.491975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.491975 (E_RNA)
where:
Base-Base interactions energy: -178.201
where: short stacking energy: -83.911
Base-Backbone interact. energy: -0.109
local terms energy: -104.182170
where:
bonds (distance) C4'-P energy: -22.559
bonds (distance) P-C4' energy: -23.684
flat angles C4'-P-C4' energy: -22.642
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -269.782249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.782249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.782249 (E_RNA)
where:
Base-Base interactions energy: -168.488
where: short stacking energy: -80.245
Base-Backbone interact. energy: -0.241
local terms energy: -101.053878
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -21.233
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -18.908
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: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -272.637600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.637600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.637600 (E_RNA)
where:
Base-Base interactions energy: -169.954
where: short stacking energy: -101.261
Base-Backbone interact. energy: -0.610
local terms energy: -102.072817
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -25.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -260.226079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.226079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.226079 (E_RNA)
where:
Base-Base interactions energy: -158.662
where: short stacking energy: -87.995
Base-Backbone interact. energy: -0.221
local terms energy: -101.343789
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -19.121
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -23.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -209.902710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.902710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.902710 (E_RNA)
where:
Base-Base interactions energy: -128.484
where: short stacking energy: -53.988
Base-Backbone interact. energy: 0.646
local terms energy: -82.065006
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -14.011
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: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -130.816699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.816699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.816699 (E_RNA)
where:
Base-Base interactions energy: -52.451
where: short stacking energy: -38.618
Base-Backbone interact. energy: -0.739
local terms energy: -77.626653
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -10.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -113.171128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.171128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.171128 (E_RNA)
where:
Base-Base interactions energy: -33.586
where: short stacking energy: -27.026
Base-Backbone interact. energy: -0.446
local terms energy: -79.139203
where:
bonds (distance) C4'-P energy: -21.798
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -0.475
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: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -106.926996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.926996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.926996 (E_RNA)
where:
Base-Base interactions energy: -30.631
where: short stacking energy: -30.631
Base-Backbone interact. energy: -0.234
local terms energy: -76.062336
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -115.549114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.549114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.549114 (E_RNA)
where:
Base-Base interactions energy: -34.133
where: short stacking energy: -34.733
Base-Backbone interact. energy: -0.134
local terms energy: -81.282002
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -15.340
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: 1, replica: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -326.964321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.964321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.964321 (E_RNA)
where:
Base-Base interactions energy: -207.776
where: short stacking energy: -109.189
Base-Backbone interact. energy: 0.359
local terms energy: -119.548119
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -26.382
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -33.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -302.274099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.274099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.274099 (E_RNA)
where:
Base-Base interactions energy: -188.116
where: short stacking energy: -104.410
Base-Backbone interact. energy: -0.092
local terms energy: -114.066667
where:
bonds (distance) C4'-P energy: -24.174
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -15.510
tors. eta vs tors. theta energy: -32.576
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: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -280.984655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.984655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.984655 (E_RNA)
where:
Base-Base interactions energy: -167.929
where: short stacking energy: -91.922
Base-Backbone interact. energy: 0.605
local terms energy: -113.660695
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -30.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -270.723928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.723928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.723928 (E_RNA)
where:
Base-Base interactions energy: -160.642
where: short stacking energy: -86.960
Base-Backbone interact. energy: -0.005
local terms energy: -110.076778
where:
bonds (distance) C4'-P energy: -21.495
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -27.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -241.371523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.371523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.371523 (E_RNA)
where:
Base-Base interactions energy: -154.145
where: short stacking energy: -80.759
Base-Backbone interact. energy: -0.497
local terms energy: -86.730224
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -11.921
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: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -183.423008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.423008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.423008 (E_RNA)
where:
Base-Base interactions energy: -100.151
where: short stacking energy: -40.677
Base-Backbone interact. energy: -0.070
local terms energy: -83.201628
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -1.024
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: 359
Temperature: 1.200000
Total energy: -139.258998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.258998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.258998 (E_RNA)
where:
Base-Base interactions energy: -59.121
where: short stacking energy: -56.425
Base-Backbone interact. energy: -0.267
local terms energy: -79.871016
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -113.037489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.037489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.037489 (E_RNA)
where:
Base-Base interactions energy: -39.009
where: short stacking energy: -39.558
Base-Backbone interact. energy: -0.942
local terms energy: -73.086359
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -118.616367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.616367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.616367 (E_RNA)
where:
Base-Base interactions energy: -55.710
where: short stacking energy: -53.736
Base-Backbone interact. energy: -0.169
local terms energy: -62.737050
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -9.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -100.539901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.539901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.539901 (E_RNA)
where:
Base-Base interactions energy: -30.760
where: short stacking energy: -30.483
Base-Backbone interact. energy: 0.835
local terms energy: -70.615391
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -322.076507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.076507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.076507 (E_RNA)
where:
Base-Base interactions energy: -210.842
where: short stacking energy: -108.894
Base-Backbone interact. energy: 3.961
local terms energy: -115.195440
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -24.969
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -33.213
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: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -296.563996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.563996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.563996 (E_RNA)
where:
Base-Base interactions energy: -186.825
where: short stacking energy: -107.232
Base-Backbone interact. energy: -0.031
local terms energy: -109.708460
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -30.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -267.274084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.274084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.274084 (E_RNA)
where:
Base-Base interactions energy: -162.756
where: short stacking energy: -97.643
Base-Backbone interact. energy: 0.432
local terms energy: -104.950975
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -27.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -270.721473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.721473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.721473 (E_RNA)
where:
Base-Base interactions energy: -165.823
where: short stacking energy: -94.117
Base-Backbone interact. energy: -0.311
local terms energy: -104.587319
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -27.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -248.728728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.728728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.728728 (E_RNA)
where:
Base-Base interactions energy: -155.436
where: short stacking energy: -75.718
Base-Backbone interact. energy: -0.326
local terms energy: -92.966902
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -191.498570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.498570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.498570 (E_RNA)
where:
Base-Base interactions energy: -96.308
where: short stacking energy: -52.740
Base-Backbone interact. energy: -0.444
local terms energy: -94.746850
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -19.979
tors. eta vs tors. theta energy: -11.999
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: 360
Temperature: 1.200000
Total energy: -137.216242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.216242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.216242 (E_RNA)
where:
Base-Base interactions energy: -64.567
where: short stacking energy: -43.815
Base-Backbone interact. energy: 1.283
local terms energy: -73.932380
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -122.031690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.031690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.031690 (E_RNA)
where:
Base-Base interactions energy: -41.356
where: short stacking energy: -41.356
Base-Backbone interact. energy: 1.596
local terms energy: -82.271502
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -123.001746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.001746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.001746 (E_RNA)
where:
Base-Base interactions energy: -54.897
where: short stacking energy: -55.097
Base-Backbone interact. energy: -0.063
local terms energy: -68.041894
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -11.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -108.667994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.667994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.667994 (E_RNA)
where:
Base-Base interactions energy: -37.385
where: short stacking energy: -34.663
Base-Backbone interact. energy: -0.178
local terms energy: -71.105416
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -326.158172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.158172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.158172 (E_RNA)
where:
Base-Base interactions energy: -206.577
where: short stacking energy: -100.256
Base-Backbone interact. energy: -0.099
local terms energy: -119.481973
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -31.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -281.397632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.397632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.397632 (E_RNA)
where:
Base-Base interactions energy: -169.897
where: short stacking energy: -103.878
Base-Backbone interact. energy: 1.076
local terms energy: -112.576648
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -21.508
tors. eta vs tors. theta energy: -28.130
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: 361
Temperature: 1.000000
Total energy: -287.749751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.749751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.749751 (E_RNA)
where:
Base-Base interactions energy: -173.538
where: short stacking energy: -94.212
Base-Backbone interact. energy: -0.952
local terms energy: -113.260062
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -18.555
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: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -235.190493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.190493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.190493 (E_RNA)
where:
Base-Base interactions energy: -152.474
where: short stacking energy: -76.334
Base-Backbone interact. energy: -0.449
local terms energy: -82.266839
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -10.702
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: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -269.053388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.053388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.053388 (E_RNA)
where:
Base-Base interactions energy: -157.291
where: short stacking energy: -95.976
Base-Backbone interact. energy: -0.018
local terms energy: -111.744574
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -22.519
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -27.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -224.130104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.130104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.130104 (E_RNA)
where:
Base-Base interactions energy: -133.309
where: short stacking energy: -73.163
Base-Backbone interact. energy: 0.511
local terms energy: -91.332419
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -118.716866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.716866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.716866 (E_RNA)
where:
Base-Base interactions energy: -59.927
where: short stacking energy: -43.982
Base-Backbone interact. energy: -0.926
local terms energy: -57.864095
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: 3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -122.801396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.801396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.801396 (E_RNA)
where:
Base-Base interactions energy: -40.054
where: short stacking energy: -38.097
Base-Backbone interact. energy: -0.141
local terms energy: -82.605605
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -117.647374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.647374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.647374 (E_RNA)
where:
Base-Base interactions energy: -45.259
where: short stacking energy: -44.247
Base-Backbone interact. energy: -0.136
local terms energy: -72.253254
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -26.704
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -97.240583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.240583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.240583 (E_RNA)
where:
Base-Base interactions energy: -27.044
where: short stacking energy: -26.972
Base-Backbone interact. energy: -0.357
local terms energy: -69.840316
where:
bonds (distance) C4'-P energy: -22.973
bonds (distance) P-C4' energy: -24.243
flat angles C4'-P-C4' energy: -5.964
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -333.261400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.261400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.261400 (E_RNA)
where:
Base-Base interactions energy: -212.708
where: short stacking energy: -110.506
Base-Backbone interact. energy: 0.226
local terms energy: -120.778940
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -33.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -269.285823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.285823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.285823 (E_RNA)
where:
Base-Base interactions energy: -166.767
where: short stacking energy: -100.197
Base-Backbone interact. energy: -0.002
local terms energy: -102.516771
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -23.622
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -25.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -277.102354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.102354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.102354 (E_RNA)
where:
Base-Base interactions energy: -165.680
where: short stacking energy: -81.648
Base-Backbone interact. energy: -0.415
local terms energy: -111.007575
where:
bonds (distance) C4'-P energy: -21.540
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -26.075
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: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -245.310022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.310022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.310022 (E_RNA)
where:
Base-Base interactions energy: -152.829
where: short stacking energy: -78.537
Base-Backbone interact. energy: -0.147
local terms energy: -92.334038
where:
bonds (distance) C4'-P energy: -25.548
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -221.050536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.050536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.050536 (E_RNA)
where:
Base-Base interactions energy: -123.454
where: short stacking energy: -67.130
Base-Backbone interact. energy: -0.221
local terms energy: -97.375219
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -233.977572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.977572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.977572 (E_RNA)
where:
Base-Base interactions energy: -143.344
where: short stacking energy: -76.196
Base-Backbone interact. energy: -0.017
local terms energy: -90.616598
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -114.754371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.754371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.754371 (E_RNA)
where:
Base-Base interactions energy: -39.248
where: short stacking energy: -35.161
Base-Backbone interact. energy: -0.064
local terms energy: -75.442365
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -21.815
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -120.170748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.170748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.170748 (E_RNA)
where:
Base-Base interactions energy: -48.117
where: short stacking energy: -35.023
Base-Backbone interact. energy: -0.279
local terms energy: -71.775389
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -112.006730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.006730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.006730 (E_RNA)
where:
Base-Base interactions energy: -36.703
where: short stacking energy: -36.703
Base-Backbone interact. energy: 1.986
local terms energy: -77.289528
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -103.600964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.600964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.600964 (E_RNA)
where:
Base-Base interactions energy: -34.925
where: short stacking energy: -23.481
Base-Backbone interact. energy: 0.420
local terms energy: -69.095700
where:
bonds (distance) C4'-P energy: -21.003
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: 1.274
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: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -329.996570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.996570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.996570 (E_RNA)
where:
Base-Base interactions energy: -209.924
where: short stacking energy: -106.972
Base-Backbone interact. energy: -0.185
local terms energy: -119.887449
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -23.321
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -33.042
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: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -281.353137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.353137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.353137 (E_RNA)
where:
Base-Base interactions energy: -175.587
where: short stacking energy: -90.152
Base-Backbone interact. energy: -0.909
local terms energy: -104.856945
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -19.060
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -24.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -267.741822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.741822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.741822 (E_RNA)
where:
Base-Base interactions energy: -166.565
where: short stacking energy: -94.099
Base-Backbone interact. energy: -0.021
local terms energy: -101.155100
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -25.029
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -24.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -227.215002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.215002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.215002 (E_RNA)
where:
Base-Base interactions energy: -129.133
where: short stacking energy: -69.491
Base-Backbone interact. energy: 0.091
local terms energy: -98.173507
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -15.255
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: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -241.746120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.746120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.746120 (E_RNA)
where:
Base-Base interactions energy: -155.701
where: short stacking energy: -71.437
Base-Backbone interact. energy: -0.230
local terms energy: -85.814343
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -16.129
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: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -231.322372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.322372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.322372 (E_RNA)
where:
Base-Base interactions energy: -138.722
where: short stacking energy: -73.437
Base-Backbone interact. energy: -0.390
local terms energy: -92.211183
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -120.779262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.779262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.779262 (E_RNA)
where:
Base-Base interactions energy: -42.306
where: short stacking energy: -40.894
Base-Backbone interact. energy: -0.101
local terms energy: -78.371735
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -6.960
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: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -119.553745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.553745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.553745 (E_RNA)
where:
Base-Base interactions energy: -56.074
where: short stacking energy: -37.710
Base-Backbone interact. energy: -0.281
local terms energy: -63.198904
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -19.606
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -2.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -109.372760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.372760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.372760 (E_RNA)
where:
Base-Base interactions energy: -33.698
where: short stacking energy: -21.566
Base-Backbone interact. energy: -0.256
local terms energy: -75.418898
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: 1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -112.221659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.221659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.221659 (E_RNA)
where:
Base-Base interactions energy: -42.915
where: short stacking energy: -41.604
Base-Backbone interact. energy: 0.066
local terms energy: -69.372398
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -21.455
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -14.433
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: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -324.167178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.167178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.167178 (E_RNA)
where:
Base-Base interactions energy: -208.174
where: short stacking energy: -105.433
Base-Backbone interact. energy: 0.316
local terms energy: -116.309411
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -24.541
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -32.394
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: 364
Temperature: 0.950000
Total energy: -308.128028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.128028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.128028 (E_RNA)
where:
Base-Base interactions energy: -189.856
where: short stacking energy: -105.321
Base-Backbone interact. energy: -0.004
local terms energy: -118.267529
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -21.230
flat angles C4'-P-C4' energy: -23.811
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -31.845
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: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -250.864738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.864738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.864738 (E_RNA)
where:
Base-Base interactions energy: -161.957
where: short stacking energy: -84.565
Base-Backbone interact. energy: 0.461
local terms energy: -89.368671
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -16.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -255.157591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.157591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.157591 (E_RNA)
where:
Base-Base interactions energy: -162.786
where: short stacking energy: -82.316
Base-Backbone interact. energy: 0.288
local terms energy: -92.659387
where:
bonds (distance) C4'-P energy: -25.949
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -250.892765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.892765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.892765 (E_RNA)
where:
Base-Base interactions energy: -144.053
where: short stacking energy: -83.989
Base-Backbone interact. energy: -0.110
local terms energy: -106.730272
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -17.377
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: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -239.298166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.298166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.298166 (E_RNA)
where:
Base-Base interactions energy: -147.904
where: short stacking energy: -78.033
Base-Backbone interact. energy: -0.415
local terms energy: -90.979323
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -122.930341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.930341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.930341 (E_RNA)
where:
Base-Base interactions energy: -42.991
where: short stacking energy: -34.536
Base-Backbone interact. energy: -0.879
local terms energy: -79.059673
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -116.537747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.537747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.537747 (E_RNA)
where:
Base-Base interactions energy: -44.443
where: short stacking energy: -39.336
Base-Backbone interact. energy: -0.067
local terms energy: -72.027512
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -9.409
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: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -115.250307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.250307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.250307 (E_RNA)
where:
Base-Base interactions energy: -40.224
where: short stacking energy: -37.222
Base-Backbone interact. energy: -1.825
local terms energy: -73.201652
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -14.131
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: 10, replica: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -101.652495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.652495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.652495 (E_RNA)
where:
Base-Base interactions energy: -39.340
where: short stacking energy: -35.753
Base-Backbone interact. energy: 0.782
local terms energy: -63.094896
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -323.023493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.023493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.023493 (E_RNA)
where:
Base-Base interactions energy: -208.943
where: short stacking energy: -102.324
Base-Backbone interact. energy: 2.038
local terms energy: -116.117662
where:
bonds (distance) C4'-P energy: -23.822
bonds (distance) P-C4' energy: -25.520
flat angles C4'-P-C4' energy: -23.438
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -32.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -287.415334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.415334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.415334 (E_RNA)
where:
Base-Base interactions energy: -185.418
where: short stacking energy: -90.337
Base-Backbone interact. energy: 0.896
local terms energy: -102.893303
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -10.675
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: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -255.916086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.916086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.916086 (E_RNA)
where:
Base-Base interactions energy: -165.955
where: short stacking energy: -98.291
Base-Backbone interact. energy: 3.320
local terms energy: -93.281275
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -251.712741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.712741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.712741 (E_RNA)
where:
Base-Base interactions energy: -151.926
where: short stacking energy: -72.435
Base-Backbone interact. energy: -0.061
local terms energy: -99.726378
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -19.724
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: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -251.420923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.420923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.420923 (E_RNA)
where:
Base-Base interactions energy: -150.183
where: short stacking energy: -80.920
Base-Backbone interact. energy: -0.164
local terms energy: -101.073480
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -222.603674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.603674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.603674 (E_RNA)
where:
Base-Base interactions energy: -134.825
where: short stacking energy: -72.442
Base-Backbone interact. energy: -0.238
local terms energy: -87.541107
where:
bonds (distance) C4'-P energy: -20.398
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -11.992
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: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -124.906386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.906386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.906386 (E_RNA)
where:
Base-Base interactions energy: -52.285
where: short stacking energy: -48.836
Base-Backbone interact. energy: -0.445
local terms energy: -72.176379
where:
bonds (distance) C4'-P energy: -21.299
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -110.951816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.951816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.951816 (E_RNA)
where:
Base-Base interactions energy: -38.821
where: short stacking energy: -34.732
Base-Backbone interact. energy: -0.450
local terms energy: -71.680739
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -129.122238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.122238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.122238 (E_RNA)
where:
Base-Base interactions energy: -42.597
where: short stacking energy: -42.597
Base-Backbone interact. energy: 0.938
local terms energy: -87.463547
where:
bonds (distance) C4'-P energy: -22.593
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -10.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -105.772103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.772103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.772103 (E_RNA)
where:
Base-Base interactions energy: -35.539
where: short stacking energy: -35.223
Base-Backbone interact. energy: -0.200
local terms energy: -70.033426
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -322.774680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.774680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.774680 (E_RNA)
where:
Base-Base interactions energy: -206.352
where: short stacking energy: -109.127
Base-Backbone interact. energy: -0.249
local terms energy: -116.173510
where:
bonds (distance) C4'-P energy: -24.359
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -32.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -303.198247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.198247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.198247 (E_RNA)
where:
Base-Base interactions energy: -187.080
where: short stacking energy: -104.822
Base-Backbone interact. energy: -0.014
local terms energy: -116.105131
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -23.609
flat angles C4'-P-C4' energy: -23.822
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -35.015
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: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -285.457142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.457142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.457142 (E_RNA)
where:
Base-Base interactions energy: -177.914
where: short stacking energy: -109.174
Base-Backbone interact. energy: -0.021
local terms energy: -107.522536
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -30.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -256.287140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.287140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.287140 (E_RNA)
where:
Base-Base interactions energy: -151.196
where: short stacking energy: -96.442
Base-Backbone interact. energy: -0.006
local terms energy: -105.084675
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -27.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -274.448534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.448534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.448534 (E_RNA)
where:
Base-Base interactions energy: -158.529
where: short stacking energy: -90.873
Base-Backbone interact. energy: -0.022
local terms energy: -115.897502
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -30.231
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: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -222.610028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.610028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.610028 (E_RNA)
where:
Base-Base interactions energy: -135.128
where: short stacking energy: -67.186
Base-Backbone interact. energy: 1.198
local terms energy: -88.679540
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -14.478
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: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -135.390124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.390124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.390124 (E_RNA)
where:
Base-Base interactions energy: -78.292
where: short stacking energy: -46.935
Base-Backbone interact. energy: -1.798
local terms energy: -55.300448
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: 2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -112.741454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.741454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.741454 (E_RNA)
where:
Base-Base interactions energy: -37.966
where: short stacking energy: -37.966
Base-Backbone interact. energy: -0.171
local terms energy: -74.604337
where:
bonds (distance) C4'-P energy: -20.601
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -10.873
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: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -114.533967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.533967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.533967 (E_RNA)
where:
Base-Base interactions energy: -45.886
where: short stacking energy: -34.611
Base-Backbone interact. energy: -0.221
local terms energy: -68.427613
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: 0.395
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: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -87.277378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.277378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.277378 (E_RNA)
where:
Base-Base interactions energy: -34.507
where: short stacking energy: -31.112
Base-Backbone interact. energy: 0.379
local terms energy: -53.149579
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -9.378
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: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -314.556452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.556452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.556452 (E_RNA)
where:
Base-Base interactions energy: -203.456
where: short stacking energy: -106.144
Base-Backbone interact. energy: -0.086
local terms energy: -111.014440
where:
bonds (distance) C4'-P energy: -21.922
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -23.596
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -29.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -296.422335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.422335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.422335 (E_RNA)
where:
Base-Base interactions energy: -177.976
where: short stacking energy: -103.696
Base-Backbone interact. energy: -0.073
local terms energy: -118.373667
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -22.019
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -32.600
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: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -284.241575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.241575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.241575 (E_RNA)
where:
Base-Base interactions energy: -169.436
where: short stacking energy: -87.380
Base-Backbone interact. energy: -0.418
local terms energy: -114.386825
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -24.580
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -28.637
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: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -266.449900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.449900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.449900 (E_RNA)
where:
Base-Base interactions energy: -157.368
where: short stacking energy: -93.674
Base-Backbone interact. energy: -0.039
local terms energy: -109.042992
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -22.389
flat angles C4'-P-C4' energy: -24.302
flat angles P-C4'-P energy: -14.957
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: 5, replica: 7
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -247.539891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.539891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.539891 (E_RNA)
where:
Base-Base interactions energy: -140.828
where: short stacking energy: -95.935
Base-Backbone interact. energy: -0.004
local terms energy: -106.707592
where:
bonds (distance) C4'-P energy: -24.617
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -26.786
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: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -246.523954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.523954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.523954 (E_RNA)
where:
Base-Base interactions energy: -150.419
where: short stacking energy: -78.976
Base-Backbone interact. energy: -0.311
local terms energy: -95.793499
where:
bonds (distance) C4'-P energy: -25.862
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -136.461362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.461362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.461362 (E_RNA)
where:
Base-Base interactions energy: -48.516
where: short stacking energy: -45.381
Base-Backbone interact. energy: 0.879
local terms energy: -88.824672
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -15.215
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: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -113.884386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.884386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.884386 (E_RNA)
where:
Base-Base interactions energy: -42.770
where: short stacking energy: -42.770
Base-Backbone interact. energy: 0.584
local terms energy: -71.698089
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -3.278
tors. eta vs tors. theta energy: -7.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -141.587376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.587376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.587376 (E_RNA)
where:
Base-Base interactions energy: -67.864
where: short stacking energy: -47.332
Base-Backbone interact. energy: -0.083
local terms energy: -73.640138
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -112.262971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.262971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.262971 (E_RNA)
where:
Base-Base interactions energy: -43.643
where: short stacking energy: -39.990
Base-Backbone interact. energy: -0.091
local terms energy: -68.528741
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -25.106
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -309.765462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.765462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.765462 (E_RNA)
where:
Base-Base interactions energy: -192.135
where: short stacking energy: -108.011
Base-Backbone interact. energy: -0.015
local terms energy: -117.615145
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -27.051
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -34.971
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: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -304.476692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.476692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.476692 (E_RNA)
where:
Base-Base interactions energy: -186.506
where: short stacking energy: -100.662
Base-Backbone interact. energy: -0.094
local terms energy: -117.876257
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -32.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -286.038249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.038249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.038249 (E_RNA)
where:
Base-Base interactions energy: -173.339
where: short stacking energy: -99.962
Base-Backbone interact. energy: -0.020
local terms energy: -112.679810
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -16.027
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: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -255.922683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.922683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.922683 (E_RNA)
where:
Base-Base interactions energy: -159.283
where: short stacking energy: -81.218
Base-Backbone interact. energy: -0.217
local terms energy: -96.422438
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -23.951
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -17.102
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: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -259.494727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.494727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.494727 (E_RNA)
where:
Base-Base interactions energy: -165.583
where: short stacking energy: -88.719
Base-Backbone interact. energy: -0.001
local terms energy: -93.910575
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -23.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -240.279996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.279996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.279996 (E_RNA)
where:
Base-Base interactions energy: -134.486
where: short stacking energy: -74.416
Base-Backbone interact. energy: -0.065
local terms energy: -105.728399
where:
bonds (distance) C4'-P energy: -22.402
bonds (distance) P-C4' energy: -24.893
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -22.707
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: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -144.994672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.994672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.994672 (E_RNA)
where:
Base-Base interactions energy: -60.362
where: short stacking energy: -57.166
Base-Backbone interact. energy: 0.458
local terms energy: -85.090886
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -112.867581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.867581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.867581 (E_RNA)
where:
Base-Base interactions energy: -43.866
where: short stacking energy: -40.278
Base-Backbone interact. energy: -0.245
local terms energy: -68.756903
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -130.479439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.479439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.479439 (E_RNA)
where:
Base-Base interactions energy: -53.838
where: short stacking energy: -49.608
Base-Backbone interact. energy: 0.103
local terms energy: -76.744756
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -21.591
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -9.307
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: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -110.533108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.533108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.533108 (E_RNA)
where:
Base-Base interactions energy: -44.299
where: short stacking energy: -40.994
Base-Backbone interact. energy: -0.097
local terms energy: -66.136342
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -316.944949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.944949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.944949 (E_RNA)
where:
Base-Base interactions energy: -199.294
where: short stacking energy: -108.191
Base-Backbone interact. energy: -0.061
local terms energy: -117.589913
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -25.639
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -32.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -324.901066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.901066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.901066 (E_RNA)
where:
Base-Base interactions energy: -206.815
where: short stacking energy: -111.085
Base-Backbone interact. energy: 1.671
local terms energy: -119.757146
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -30.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -289.801635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.801635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.801635 (E_RNA)
where:
Base-Base interactions energy: -179.580
where: short stacking energy: -102.498
Base-Backbone interact. energy: -0.587
local terms energy: -109.634303
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -32.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -245.855978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.855978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.855978 (E_RNA)
where:
Base-Base interactions energy: -152.476
where: short stacking energy: -79.105
Base-Backbone interact. energy: -0.207
local terms energy: -93.172795
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -23.553
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -255.314123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.314123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.314123 (E_RNA)
where:
Base-Base interactions energy: -163.660
where: short stacking energy: -96.159
Base-Backbone interact. energy: -0.200
local terms energy: -91.454309
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -11.247
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: 6, replica: 7
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -226.747699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.747699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.747699 (E_RNA)
where:
Base-Base interactions energy: -128.719
where: short stacking energy: -80.238
Base-Backbone interact. energy: 0.508
local terms energy: -98.536911
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -22.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -144.837153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.837153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.837153 (E_RNA)
where:
Base-Base interactions energy: -63.902
where: short stacking energy: -63.902
Base-Backbone interact. energy: -0.150
local terms energy: -80.785379
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -11.434
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: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -123.925196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.925196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.925196 (E_RNA)
where:
Base-Base interactions energy: -65.820
where: short stacking energy: -53.919
Base-Backbone interact. energy: -0.312
local terms energy: -57.792893
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -3.893
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -115.352331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.352331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.352331 (E_RNA)
where:
Base-Base interactions energy: -35.982
where: short stacking energy: -30.170
Base-Backbone interact. energy: -0.225
local terms energy: -79.145664
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -4.229
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: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -100.755697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.755697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.755697 (E_RNA)
where:
Base-Base interactions energy: -40.215
where: short stacking energy: -33.927
Base-Backbone interact. energy: 0.772
local terms energy: -61.313023
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -328.104900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.104900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.104900 (E_RNA)
where:
Base-Base interactions energy: -210.070
where: short stacking energy: -113.668
Base-Backbone interact. energy: -0.074
local terms energy: -117.961123
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -33.414
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: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -306.370896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.370896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.370896 (E_RNA)
where:
Base-Base interactions energy: -190.069
where: short stacking energy: -114.162
Base-Backbone interact. energy: -0.006
local terms energy: -116.296210
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -23.592
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -28.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -284.707106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.707106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.707106 (E_RNA)
where:
Base-Base interactions energy: -180.311
where: short stacking energy: -97.114
Base-Backbone interact. energy: -0.085
local terms energy: -104.311154
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -27.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -264.957344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.957344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.957344 (E_RNA)
where:
Base-Base interactions energy: -166.801
where: short stacking energy: -80.102
Base-Backbone interact. energy: -0.013
local terms energy: -98.143773
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -22.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -257.301975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.301975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.301975 (E_RNA)
where:
Base-Base interactions energy: -155.994
where: short stacking energy: -96.049
Base-Backbone interact. energy: -0.001
local terms energy: -101.307092
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -23.609
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -232.913093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.913093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.913093 (E_RNA)
where:
Base-Base interactions energy: -137.701
where: short stacking energy: -65.469
Base-Backbone interact. energy: -0.908
local terms energy: -94.304025
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -122.287745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.287745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.287745 (E_RNA)
where:
Base-Base interactions energy: -46.588
where: short stacking energy: -42.931
Base-Backbone interact. energy: -0.290
local terms energy: -75.409946
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -108.433710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.433710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.433710 (E_RNA)
where:
Base-Base interactions energy: -40.539
where: short stacking energy: -40.539
Base-Backbone interact. energy: -0.324
local terms energy: -67.571488
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -129.583389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.583389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.583389 (E_RNA)
where:
Base-Base interactions energy: -50.383
where: short stacking energy: -50.383
Base-Backbone interact. energy: -0.031
local terms energy: -79.169893
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -12.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -115.869221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.869221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.869221 (E_RNA)
where:
Base-Base interactions energy: -45.348
where: short stacking energy: -41.619
Base-Backbone interact. energy: -0.233
local terms energy: -70.287834
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -1.422
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: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -326.255061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.255061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.255061 (E_RNA)
where:
Base-Base interactions energy: -216.232
where: short stacking energy: -111.798
Base-Backbone interact. energy: -0.070
local terms energy: -109.953134
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -30.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -302.945431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.945431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.945431 (E_RNA)
where:
Base-Base interactions energy: -182.395
where: short stacking energy: -113.515
Base-Backbone interact. energy: -0.001
local terms energy: -120.549969
where:
bonds (distance) C4'-P energy: -21.136
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -26.439
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -33.496
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: 371
Temperature: 1.000000
Total energy: -286.669372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.669372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.669372 (E_RNA)
where:
Base-Base interactions energy: -180.420
where: short stacking energy: -99.034
Base-Backbone interact. energy: 0.335
local terms energy: -106.583672
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -26.008
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: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -241.154874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.154874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.154874 (E_RNA)
where:
Base-Base interactions energy: -143.213
where: short stacking energy: -84.310
Base-Backbone interact. energy: -0.445
local terms energy: -97.496689
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -18.754
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -17.515
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -238.116384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.116384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.116384 (E_RNA)
where:
Base-Base interactions energy: -141.586
where: short stacking energy: -75.486
Base-Backbone interact. energy: -0.190
local terms energy: -96.340203
where:
bonds (distance) C4'-P energy: -25.548
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -17.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -244.359515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.359515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.359515 (E_RNA)
where:
Base-Base interactions energy: -146.520
where: short stacking energy: -87.220
Base-Backbone interact. energy: -0.082
local terms energy: -97.757829
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -18.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -137.014475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.014475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.014475 (E_RNA)
where:
Base-Base interactions energy: -54.358
where: short stacking energy: -44.000
Base-Backbone interact. energy: -0.093
local terms energy: -82.563578
where:
bonds (distance) C4'-P energy: -22.681
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -14.514
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: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -127.745049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.745049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.745049 (E_RNA)
where:
Base-Base interactions energy: -57.666
where: short stacking energy: -41.983
Base-Backbone interact. energy: 1.605
local terms energy: -71.684618
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -112.753889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.753889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.753889 (E_RNA)
where:
Base-Base interactions energy: -44.174
where: short stacking energy: -37.932
Base-Backbone interact. energy: -0.188
local terms energy: -68.391761
where:
bonds (distance) C4'-P energy: -19.480
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -7.789
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -102.329073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.329073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.329073 (E_RNA)
where:
Base-Base interactions energy: -34.707
where: short stacking energy: -34.557
Base-Backbone interact. energy: 0.304
local terms energy: -67.925949
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -309.339116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.339116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.339116 (E_RNA)
where:
Base-Base interactions energy: -190.411
where: short stacking energy: -113.856
Base-Backbone interact. energy: -0.001
local terms energy: -118.927380
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -25.983
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -33.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -310.200153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.200153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.200153 (E_RNA)
where:
Base-Base interactions energy: -188.674
where: short stacking energy: -102.002
Base-Backbone interact. energy: -0.037
local terms energy: -121.489004
where:
bonds (distance) C4'-P energy: -24.249
bonds (distance) P-C4' energy: -24.807
flat angles C4'-P-C4' energy: -26.733
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -31.286
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: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -275.985571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.985571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.985571 (E_RNA)
where:
Base-Base interactions energy: -165.747
where: short stacking energy: -95.364
Base-Backbone interact. energy: -0.090
local terms energy: -110.149150
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -26.052
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -24.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -242.619037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.619037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.619037 (E_RNA)
where:
Base-Base interactions energy: -146.260
where: short stacking energy: -86.451
Base-Backbone interact. energy: -0.171
local terms energy: -96.187737
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -22.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -247.212874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.212874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.212874 (E_RNA)
where:
Base-Base interactions energy: -144.014
where: short stacking energy: -80.774
Base-Backbone interact. energy: -0.124
local terms energy: -103.074311
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -23.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -249.684297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.684297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.684297 (E_RNA)
where:
Base-Base interactions energy: -154.291
where: short stacking energy: -85.435
Base-Backbone interact. energy: -0.194
local terms energy: -95.200000
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -26.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -120.632409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.632409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.632409 (E_RNA)
where:
Base-Base interactions energy: -45.801
where: short stacking energy: -44.114
Base-Backbone interact. energy: -0.385
local terms energy: -74.446977
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -115.715315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.715315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.715315 (E_RNA)
where:
Base-Base interactions energy: -32.649
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.366
local terms energy: -82.700411
where:
bonds (distance) C4'-P energy: -25.638
bonds (distance) P-C4' energy: -22.854
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -2.886
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: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -121.605735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.605735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.605735 (E_RNA)
where:
Base-Base interactions energy: -45.136
where: short stacking energy: -40.592
Base-Backbone interact. energy: -0.404
local terms energy: -76.066675
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -9.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -110.869444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.869444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.869444 (E_RNA)
where:
Base-Base interactions energy: -50.916
where: short stacking energy: -48.702
Base-Backbone interact. energy: -0.312
local terms energy: -59.642013
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -9.066
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -4.620
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: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -318.134308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.134308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.134308 (E_RNA)
where:
Base-Base interactions energy: -193.007
where: short stacking energy: -115.847
Base-Backbone interact. energy: 0.858
local terms energy: -125.985839
where:
bonds (distance) C4'-P energy: -25.142
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -37.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -301.605391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.605391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.605391 (E_RNA)
where:
Base-Base interactions energy: -192.802
where: short stacking energy: -99.553
Base-Backbone interact. energy: -0.105
local terms energy: -108.698310
where:
bonds (distance) C4'-P energy: -23.176
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -28.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -285.483891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.483891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.483891 (E_RNA)
where:
Base-Base interactions energy: -180.455
where: short stacking energy: -97.382
Base-Backbone interact. energy: -0.073
local terms energy: -104.955983
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -27.047
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: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -273.473835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.473835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.473835 (E_RNA)
where:
Base-Base interactions energy: -167.267
where: short stacking energy: -90.039
Base-Backbone interact. energy: -0.019
local terms energy: -106.188155
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -25.252
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -27.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -249.870727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.870727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.870727 (E_RNA)
where:
Base-Base interactions energy: -151.522
where: short stacking energy: -92.852
Base-Backbone interact. energy: -0.006
local terms energy: -98.342075
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -23.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -257.605977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.605977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.605977 (E_RNA)
where:
Base-Base interactions energy: -165.923
where: short stacking energy: -82.717
Base-Backbone interact. energy: -0.063
local terms energy: -91.619847
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -132.240562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.240562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.240562 (E_RNA)
where:
Base-Base interactions energy: -54.909
where: short stacking energy: -46.618
Base-Backbone interact. energy: -0.411
local terms energy: -76.920755
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -6.604
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: 8, replica: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -119.553293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.553293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.553293 (E_RNA)
where:
Base-Base interactions energy: -43.489
where: short stacking energy: -43.489
Base-Backbone interact. energy: -0.005
local terms energy: -76.060073
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -15.487
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: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -109.781492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.781492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.781492 (E_RNA)
where:
Base-Base interactions energy: -45.995
where: short stacking energy: -46.222
Base-Backbone interact. energy: -0.330
local terms energy: -63.456185
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -12.610
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: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -119.671090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.671090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.671090 (E_RNA)
where:
Base-Base interactions energy: -49.881
where: short stacking energy: -48.313
Base-Backbone interact. energy: 0.606
local terms energy: -70.395355
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -315.288328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.288328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.288328 (E_RNA)
where:
Base-Base interactions energy: -199.548
where: short stacking energy: -117.288
Base-Backbone interact. energy: -0.005
local terms energy: -115.735703
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -32.338
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: 4
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -306.567784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.567784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.567784 (E_RNA)
where:
Base-Base interactions energy: -199.123
where: short stacking energy: -105.150
Base-Backbone interact. energy: 1.355
local terms energy: -108.800315
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -21.145
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -30.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -274.614249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.614249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.614249 (E_RNA)
where:
Base-Base interactions energy: -165.294
where: short stacking energy: -98.825
Base-Backbone interact. energy: -0.047
local terms energy: -109.273627
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -17.130
tors. eta vs tors. theta energy: -30.309
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: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -271.680175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.680175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.680175 (E_RNA)
where:
Base-Base interactions energy: -169.984
where: short stacking energy: -97.979
Base-Backbone interact. energy: -0.039
local terms energy: -101.656593
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -21.875
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -23.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -247.195290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.195290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.195290 (E_RNA)
where:
Base-Base interactions energy: -156.628
where: short stacking energy: -80.116
Base-Backbone interact. energy: -0.117
local terms energy: -90.450687
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -22.863
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -21.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -211.181280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.181280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.181280 (E_RNA)
where:
Base-Base interactions energy: -120.132
where: short stacking energy: -57.188
Base-Backbone interact. energy: -0.289
local terms energy: -90.760790
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -17.276
tors. eta vs tors. theta energy: -10.352
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: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -135.875580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.875580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.875580 (E_RNA)
where:
Base-Base interactions energy: -52.675
where: short stacking energy: -51.598
Base-Backbone interact. energy: -0.044
local terms energy: -83.155870
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -14.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -129.175422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.175422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.175422 (E_RNA)
where:
Base-Base interactions energy: -71.044
where: short stacking energy: -39.361
Base-Backbone interact. energy: -0.305
local terms energy: -57.826209
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -13.125
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: 374
Temperature: 1.300000
Total energy: -113.725856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.725856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.725856 (E_RNA)
where:
Base-Base interactions energy: -44.579
where: short stacking energy: -44.333
Base-Backbone interact. energy: 2.638
local terms energy: -71.784691
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -101.502172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.502172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.502172 (E_RNA)
where:
Base-Base interactions energy: -32.994
where: short stacking energy: -28.700
Base-Backbone interact. energy: -1.479
local terms energy: -67.029072
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -318.564095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.564095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.564095 (E_RNA)
where:
Base-Base interactions energy: -198.452
where: short stacking energy: -112.055
Base-Backbone interact. energy: -0.126
local terms energy: -119.986304
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -30.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -313.782394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.782394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.782394 (E_RNA)
where:
Base-Base interactions energy: -190.617
where: short stacking energy: -103.041
Base-Backbone interact. energy: -0.248
local terms energy: -122.916575
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -27.334
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -19.603
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: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -287.047426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.047426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.047426 (E_RNA)
where:
Base-Base interactions energy: -180.760
where: short stacking energy: -112.104
Base-Backbone interact. energy: 0.266
local terms energy: -106.552721
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -31.694
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: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -265.606020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.606020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.606020 (E_RNA)
where:
Base-Base interactions energy: -159.983
where: short stacking energy: -89.205
Base-Backbone interact. energy: 1.091
local terms energy: -106.713648
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -24.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -246.490877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.490877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.490877 (E_RNA)
where:
Base-Base interactions energy: -154.288
where: short stacking energy: -78.363
Base-Backbone interact. energy: -0.098
local terms energy: -92.104851
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -13.282
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: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -222.847265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.847265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.847265 (E_RNA)
where:
Base-Base interactions energy: -137.820
where: short stacking energy: -73.236
Base-Backbone interact. energy: -0.543
local terms energy: -84.484939
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -22.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -118.533959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.533959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.533959 (E_RNA)
where:
Base-Base interactions energy: -44.454
where: short stacking energy: -38.358
Base-Backbone interact. energy: 0.018
local terms energy: -74.098054
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -25.859
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -2.814
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: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -145.760128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.760128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.760128 (E_RNA)
where:
Base-Base interactions energy: -59.902
where: short stacking energy: -45.852
Base-Backbone interact. energy: 0.291
local terms energy: -86.148501
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -13.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -104.413211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.413211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.413211 (E_RNA)
where:
Base-Base interactions energy: -35.019
where: short stacking energy: -35.019
Base-Backbone interact. energy: 0.870
local terms energy: -70.264654
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -111.218259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.218259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.218259 (E_RNA)
where:
Base-Base interactions energy: -37.680
where: short stacking energy: -36.586
Base-Backbone interact. energy: -0.057
local terms energy: -73.481213
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -20.663
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -10.521
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: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -316.799401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.799401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.799401 (E_RNA)
where:
Base-Base interactions energy: -202.335
where: short stacking energy: -110.673
Base-Backbone interact. energy: -0.008
local terms energy: -114.457121
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -22.174
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -33.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -285.920404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.920404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.920404 (E_RNA)
where:
Base-Base interactions energy: -174.155
where: short stacking energy: -98.683
Base-Backbone interact. energy: -0.142
local terms energy: -111.623051
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -27.720
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -27.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -300.736028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.736028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.736028 (E_RNA)
where:
Base-Base interactions energy: -189.703
where: short stacking energy: -106.647
Base-Backbone interact. energy: -0.247
local terms energy: -110.785630
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -23.506
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -28.856
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: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -255.368540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.368540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.368540 (E_RNA)
where:
Base-Base interactions energy: -149.437
where: short stacking energy: -83.662
Base-Backbone interact. energy: 0.489
local terms energy: -106.421088
where:
bonds (distance) C4'-P energy: -24.625
bonds (distance) P-C4' energy: -24.316
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -18.429
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -255.047128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.047128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.047128 (E_RNA)
where:
Base-Base interactions energy: -151.942
where: short stacking energy: -79.116
Base-Backbone interact. energy: -0.198
local terms energy: -102.907494
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -11.824
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: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -205.263907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.263907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.263907 (E_RNA)
where:
Base-Base interactions energy: -120.353
where: short stacking energy: -52.800
Base-Backbone interact. energy: -0.094
local terms energy: -84.816433
where:
bonds (distance) C4'-P energy: -22.257
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -11.139
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: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -127.576555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.576555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.576555 (E_RNA)
where:
Base-Base interactions energy: -48.497
where: short stacking energy: -46.291
Base-Backbone interact. energy: -0.896
local terms energy: -78.183553
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -6.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -108.905294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.905294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.905294 (E_RNA)
where:
Base-Base interactions energy: -46.325
where: short stacking energy: -37.764
Base-Backbone interact. energy: -0.630
local terms energy: -61.950158
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -125.154418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.154418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.154418 (E_RNA)
where:
Base-Base interactions energy: -59.027
where: short stacking energy: -43.205
Base-Backbone interact. energy: 0.311
local terms energy: -66.437574
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -107.453989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.453989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.453989 (E_RNA)
where:
Base-Base interactions energy: -38.910
where: short stacking energy: -35.896
Base-Backbone interact. energy: -0.358
local terms energy: -68.185654
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -317.257834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.257834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.257834 (E_RNA)
where:
Base-Base interactions energy: -203.493
where: short stacking energy: -105.294
Base-Backbone interact. energy: 0.375
local terms energy: -114.139023
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -26.471
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -29.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -295.498989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.498989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.498989 (E_RNA)
where:
Base-Base interactions energy: -178.609
where: short stacking energy: -101.835
Base-Backbone interact. energy: -0.004
local terms energy: -116.885724
where:
bonds (distance) C4'-P energy: -25.754
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -26.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -270.910793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.910793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.910793 (E_RNA)
where:
Base-Base interactions energy: -163.083
where: short stacking energy: -92.102
Base-Backbone interact. energy: -1.227
local terms energy: -106.600467
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -25.408
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -269.237086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.237086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.237086 (E_RNA)
where:
Base-Base interactions energy: -156.431
where: short stacking energy: -89.954
Base-Backbone interact. energy: -1.162
local terms energy: -111.643570
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -28.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -239.914795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.914795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.914795 (E_RNA)
where:
Base-Base interactions energy: -156.430
where: short stacking energy: -77.408
Base-Backbone interact. energy: -0.209
local terms energy: -83.275451
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -233.204495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.204495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.204495 (E_RNA)
where:
Base-Base interactions energy: -139.750
where: short stacking energy: -86.610
Base-Backbone interact. energy: -0.476
local terms energy: -92.978510
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -19.387
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: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -139.670963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.670963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.670963 (E_RNA)
where:
Base-Base interactions energy: -59.601
where: short stacking energy: -59.601
Base-Backbone interact. energy: -0.002
local terms energy: -80.067599
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -116.435648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.435648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.435648 (E_RNA)
where:
Base-Base interactions energy: -42.614
where: short stacking energy: -41.109
Base-Backbone interact. energy: -0.501
local terms energy: -73.320251
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -6.585
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: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -115.463438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.463438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.463438 (E_RNA)
where:
Base-Base interactions energy: -38.899
where: short stacking energy: -38.899
Base-Backbone interact. energy: -0.722
local terms energy: -75.841562
where:
bonds (distance) C4'-P energy: -20.307
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -107.841433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.841433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.841433 (E_RNA)
where:
Base-Base interactions energy: -31.724
where: short stacking energy: -32.146
Base-Backbone interact. energy: -0.232
local terms energy: -75.886084
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -309.950937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.950937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.950937 (E_RNA)
where:
Base-Base interactions energy: -192.743
where: short stacking energy: -113.550
Base-Backbone interact. energy: 1.890
local terms energy: -119.097562
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -23.609
flat angles P-C4'-P energy: -19.572
tors. eta vs tors. theta energy: -30.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -321.989048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.989048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.989048 (E_RNA)
where:
Base-Base interactions energy: -209.246
where: short stacking energy: -113.186
Base-Backbone interact. energy: -0.124
local terms energy: -112.619385
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -33.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -275.098767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.098767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.098767 (E_RNA)
where:
Base-Base interactions energy: -169.630
where: short stacking energy: -101.329
Base-Backbone interact. energy: -0.119
local terms energy: -105.350199
where:
bonds (distance) C4'-P energy: -19.899
bonds (distance) P-C4' energy: -22.438
flat angles C4'-P-C4' energy: -23.007
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -27.108
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: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -270.266983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.266983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.266983 (E_RNA)
where:
Base-Base interactions energy: -168.423
where: short stacking energy: -86.729
Base-Backbone interact. energy: -0.012
local terms energy: -101.831181
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -15.310
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: 5, replica: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -229.682691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.682691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.682691 (E_RNA)
where:
Base-Base interactions energy: -136.977
where: short stacking energy: -82.838
Base-Backbone interact. energy: -0.203
local terms energy: -92.502397
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -22.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -242.528781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.528781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.528781 (E_RNA)
where:
Base-Base interactions energy: -152.890
where: short stacking energy: -74.829
Base-Backbone interact. energy: -0.101
local terms energy: -89.537954
where:
bonds (distance) C4'-P energy: -22.332
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -23.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -127.581162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.581162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.581162 (E_RNA)
where:
Base-Base interactions energy: -53.839
where: short stacking energy: -53.839
Base-Backbone interact. energy: -0.085
local terms energy: -73.657507
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -11.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -130.657801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.657801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.657801 (E_RNA)
where:
Base-Base interactions energy: -71.437
where: short stacking energy: -41.293
Base-Backbone interact. energy: -0.932
local terms energy: -58.288307
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: 2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -106.179074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.179074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.179074 (E_RNA)
where:
Base-Base interactions energy: -37.863
where: short stacking energy: -32.727
Base-Backbone interact. energy: -0.277
local terms energy: -68.039174
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: 4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -113.866827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.866827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.866827 (E_RNA)
where:
Base-Base interactions energy: -52.481
where: short stacking energy: -53.281
Base-Backbone interact. energy: -0.032
local terms energy: -61.354714
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -12.278
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: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -312.690922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.690922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.690922 (E_RNA)
where:
Base-Base interactions energy: -194.059
where: short stacking energy: -112.230
Base-Backbone interact. energy: -0.026
local terms energy: -118.605244
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -31.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -326.988128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.988128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.988128 (E_RNA)
where:
Base-Base interactions energy: -215.548
where: short stacking energy: -109.041
Base-Backbone interact. energy: -1.429
local terms energy: -110.011726
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -25.820
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -28.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -269.798556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.798556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.798556 (E_RNA)
where:
Base-Base interactions energy: -162.610
where: short stacking energy: -97.525
Base-Backbone interact. energy: -0.368
local terms energy: -106.821100
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -23.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -241.421772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.421772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.421772 (E_RNA)
where:
Base-Base interactions energy: -147.457
where: short stacking energy: -92.434
Base-Backbone interact. energy: -0.117
local terms energy: -93.848224
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -21.201
flat angles C4'-P-C4' energy: -26.159
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -23.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -271.848447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.848447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.848447 (E_RNA)
where:
Base-Base interactions energy: -163.972
where: short stacking energy: -96.449
Base-Backbone interact. energy: -0.007
local terms energy: -107.869641
where:
bonds (distance) C4'-P energy: -21.152
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -23.438
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -25.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -237.160949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.160949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.160949 (E_RNA)
where:
Base-Base interactions energy: -142.158
where: short stacking energy: -73.981
Base-Backbone interact. energy: -0.099
local terms energy: -94.904154
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -22.560
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: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -132.601071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.601071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.601071 (E_RNA)
where:
Base-Base interactions energy: -58.766
where: short stacking energy: -49.274
Base-Backbone interact. energy: -0.232
local terms energy: -73.603366
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -6.169
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: 8, replica: 3
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -114.680640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.680640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.680640 (E_RNA)
where:
Base-Base interactions energy: -38.075
where: short stacking energy: -25.394
Base-Backbone interact. energy: -0.296
local terms energy: -76.309916
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -11.008
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: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -116.933628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.933628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.933628 (E_RNA)
where:
Base-Base interactions energy: -51.504
where: short stacking energy: -34.755
Base-Backbone interact. energy: -0.534
local terms energy: -64.895409
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -11.651
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: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -103.562847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.562847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.562847 (E_RNA)
where:
Base-Base interactions energy: -26.186
where: short stacking energy: -26.186
Base-Backbone interact. energy: -0.155
local terms energy: -77.221791
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -316.646074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.646074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.646074 (E_RNA)
where:
Base-Base interactions energy: -203.717
where: short stacking energy: -100.765
Base-Backbone interact. energy: -1.474
local terms energy: -111.454447
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -32.451
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: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -293.899744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.899744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.899744 (E_RNA)
where:
Base-Base interactions energy: -185.349
where: short stacking energy: -98.840
Base-Backbone interact. energy: -0.041
local terms energy: -108.509242
where:
bonds (distance) C4'-P energy: -21.980
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -28.090
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: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -266.332492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.332492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.332492 (E_RNA)
where:
Base-Base interactions energy: -165.422
where: short stacking energy: -98.396
Base-Backbone interact. energy: -0.046
local terms energy: -100.864635
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -26.713
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: 7
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -248.905339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.905339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.905339 (E_RNA)
where:
Base-Base interactions energy: -141.120
where: short stacking energy: -88.369
Base-Backbone interact. energy: -2.404
local terms energy: -105.381713
where:
bonds (distance) C4'-P energy: -20.415
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -25.221
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: 1
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -255.905409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.905409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.905409 (E_RNA)
where:
Base-Base interactions energy: -157.580
where: short stacking energy: -89.299
Base-Backbone interact. energy: -0.216
local terms energy: -98.108596
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -23.147
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -25.285
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: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -248.533620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.533620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.533620 (E_RNA)
where:
Base-Base interactions energy: -150.549
where: short stacking energy: -77.285
Base-Backbone interact. energy: 1.462
local terms energy: -99.446652
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -21.896
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: 380
Temperature: 1.200000
Total energy: -129.577495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.577495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.577495 (E_RNA)
where:
Base-Base interactions energy: -56.712
where: short stacking energy: -51.108
Base-Backbone interact. energy: -0.429
local terms energy: -72.436781
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -124.299500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.299500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.299500 (E_RNA)
where:
Base-Base interactions energy: -38.315
where: short stacking energy: -33.936
Base-Backbone interact. energy: -0.310
local terms energy: -85.673972
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -8.780
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: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -114.707267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.707267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.707267 (E_RNA)
where:
Base-Base interactions energy: -42.907
where: short stacking energy: -37.843
Base-Backbone interact. energy: 0.247
local terms energy: -72.047075
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -25.364
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -1.437
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: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -121.785765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.785765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.785765 (E_RNA)
where:
Base-Base interactions energy: -48.553
where: short stacking energy: -47.593
Base-Backbone interact. energy: -0.064
local terms energy: -73.169401
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -325.938260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.938260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.938260 (E_RNA)
where:
Base-Base interactions energy: -214.796
where: short stacking energy: -106.869
Base-Backbone interact. energy: 1.476
local terms energy: -112.618847
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -25.742
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -32.572
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: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -282.568181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.568181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.568181 (E_RNA)
where:
Base-Base interactions energy: -177.385
where: short stacking energy: -95.473
Base-Backbone interact. energy: -0.098
local terms energy: -105.085412
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -25.068
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -25.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -280.745581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.745581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.745581 (E_RNA)
where:
Base-Base interactions energy: -165.357
where: short stacking energy: -93.857
Base-Backbone interact. energy: -0.047
local terms energy: -115.341292
where:
bonds (distance) C4'-P energy: -25.350
bonds (distance) P-C4' energy: -20.698
flat angles C4'-P-C4' energy: -27.172
flat angles P-C4'-P energy: -13.728
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: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -269.493194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.493194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.493194 (E_RNA)
where:
Base-Base interactions energy: -177.894
where: short stacking energy: -100.031
Base-Backbone interact. energy: 0.573
local terms energy: -92.172632
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -26.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -217.265785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.265785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.265785 (E_RNA)
where:
Base-Base interactions energy: -132.713
where: short stacking energy: -78.715
Base-Backbone interact. energy: -0.028
local terms energy: -84.524276
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -18.056
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: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -249.531635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.531635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.531635 (E_RNA)
where:
Base-Base interactions energy: -154.039
where: short stacking energy: -82.390
Base-Backbone interact. energy: -0.247
local terms energy: -95.245181
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -22.851
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: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -122.928713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.928713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.928713 (E_RNA)
where:
Base-Base interactions energy: -47.691
where: short stacking energy: -47.431
Base-Backbone interact. energy: -0.686
local terms energy: -74.551576
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -2.789
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: 8, replica: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -118.144045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.144045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.144045 (E_RNA)
where:
Base-Base interactions energy: -35.035
where: short stacking energy: -35.035
Base-Backbone interact. energy: 1.345
local terms energy: -84.453689
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -7.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -114.708198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.708198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.708198 (E_RNA)
where:
Base-Base interactions energy: -37.039
where: short stacking energy: -37.039
Base-Backbone interact. energy: 1.969
local terms energy: -79.638015
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -109.394303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.394303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.394303 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -39.141
Base-Backbone interact. energy: -0.284
local terms energy: -69.969861
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -8.368
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: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -323.403209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.403209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.403209 (E_RNA)
where:
Base-Base interactions energy: -207.162
where: short stacking energy: -99.746
Base-Backbone interact. energy: -0.025
local terms energy: -116.215940
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -23.365
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -31.673
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: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -274.000416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.000416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.000416 (E_RNA)
where:
Base-Base interactions energy: -165.632
where: short stacking energy: -87.549
Base-Backbone interact. energy: -0.120
local terms energy: -108.248268
where:
bonds (distance) C4'-P energy: -21.827
bonds (distance) P-C4' energy: -25.435
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -256.060481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.060481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.060481 (E_RNA)
where:
Base-Base interactions energy: -153.941
where: short stacking energy: -81.067
Base-Backbone interact. energy: 0.684
local terms energy: -102.803658
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -24.879
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -19.310
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: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -266.899306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.899306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.899306 (E_RNA)
where:
Base-Base interactions energy: -167.051
where: short stacking energy: -88.527
Base-Backbone interact. energy: -0.215
local terms energy: -99.633743
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -21.551
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -19.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -252.968742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.968742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.968742 (E_RNA)
where:
Base-Base interactions energy: -161.376
where: short stacking energy: -84.436
Base-Backbone interact. energy: 0.035
local terms energy: -91.627528
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: -21.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -206.460863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.460863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.460863 (E_RNA)
where:
Base-Base interactions energy: -113.431
where: short stacking energy: -62.482
Base-Backbone interact. energy: -0.443
local terms energy: -92.586284
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -153.658106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.658106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.658106 (E_RNA)
where:
Base-Base interactions energy: -64.485
where: short stacking energy: -63.089
Base-Backbone interact. energy: -0.213
local terms energy: -88.960056
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -16.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -116.968325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.968325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.968325 (E_RNA)
where:
Base-Base interactions energy: -46.710
where: short stacking energy: -34.486
Base-Backbone interact. energy: 4.571
local terms energy: -74.829056
where:
bonds (distance) C4'-P energy: -20.489
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -5.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -115.638682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.638682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.638682 (E_RNA)
where:
Base-Base interactions energy: -37.426
where: short stacking energy: -37.426
Base-Backbone interact. energy: -0.225
local terms energy: -77.987470
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -7.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -105.507851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.507851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.507851 (E_RNA)
where:
Base-Base interactions energy: -42.443
where: short stacking energy: -21.744
Base-Backbone interact. energy: -0.448
local terms energy: -62.616999
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -9.827
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: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -321.198101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.198101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.198101 (E_RNA)
where:
Base-Base interactions energy: -205.547
where: short stacking energy: -99.126
Base-Backbone interact. energy: -0.117
local terms energy: -115.533823
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -25.742
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -30.152
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: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -287.812326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.812326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.812326 (E_RNA)
where:
Base-Base interactions energy: -178.338
where: short stacking energy: -105.728
Base-Backbone interact. energy: -0.035
local terms energy: -109.438615
where:
bonds (distance) C4'-P energy: -21.859
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -27.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -257.390898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.390898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.390898 (E_RNA)
where:
Base-Base interactions energy: -149.220
where: short stacking energy: -83.164
Base-Backbone interact. energy: -0.133
local terms energy: -108.038013
where:
bonds (distance) C4'-P energy: -24.377
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -17.409
tors. eta vs tors. theta energy: -23.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -250.992343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.992343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.992343 (E_RNA)
where:
Base-Base interactions energy: -157.793
where: short stacking energy: -79.908
Base-Backbone interact. energy: 0.531
local terms energy: -93.729841
where:
bonds (distance) C4'-P energy: -23.586
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -23.372
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: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -241.171048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.171048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.171048 (E_RNA)
where:
Base-Base interactions energy: -157.724
where: short stacking energy: -75.039
Base-Backbone interact. energy: -0.112
local terms energy: -83.335218
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -22.079
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -227.490024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.490024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.490024 (E_RNA)
where:
Base-Base interactions energy: -130.698
where: short stacking energy: -66.481
Base-Backbone interact. energy: -0.386
local terms energy: -96.406475
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -22.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -127.149658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.149658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.149658 (E_RNA)
where:
Base-Base interactions energy: -49.578
where: short stacking energy: -49.578
Base-Backbone interact. energy: 1.398
local terms energy: -78.969567
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -160.053760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.053760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.053760 (E_RNA)
where:
Base-Base interactions energy: -80.663
where: short stacking energy: -56.037
Base-Backbone interact. energy: -0.030
local terms energy: -79.360927
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -13.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -122.317474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.317474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.317474 (E_RNA)
where:
Base-Base interactions energy: -40.294
where: short stacking energy: -40.294
Base-Backbone interact. energy: 0.998
local terms energy: -83.022163
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -22.945
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -6.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -100.721124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.721124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.721124 (E_RNA)
where:
Base-Base interactions energy: -30.479
where: short stacking energy: -30.479
Base-Backbone interact. energy: -0.611
local terms energy: -69.631035
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -322.953277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.953277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.953277 (E_RNA)
where:
Base-Base interactions energy: -208.600
where: short stacking energy: -103.775
Base-Backbone interact. energy: -0.048
local terms energy: -114.304587
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -17.861
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: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -291.786678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.786678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.786678 (E_RNA)
where:
Base-Base interactions energy: -185.271
where: short stacking energy: -95.987
Base-Backbone interact. energy: -0.173
local terms energy: -106.342818
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -27.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -278.309050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.309050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.309050 (E_RNA)
where:
Base-Base interactions energy: -173.614
where: short stacking energy: -82.256
Base-Backbone interact. energy: -0.116
local terms energy: -104.578891
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -24.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -271.779220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.779220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.779220 (E_RNA)
where:
Base-Base interactions energy: -162.322
where: short stacking energy: -95.290
Base-Backbone interact. energy: -0.004
local terms energy: -109.452686
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -27.162
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: 384
Temperature: 1.100000
Total energy: -232.212915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.212915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.212915 (E_RNA)
where:
Base-Base interactions energy: -139.308
where: short stacking energy: -82.986
Base-Backbone interact. energy: 1.147
local terms energy: -94.051424
where:
bonds (distance) C4'-P energy: -22.352
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -23.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -240.190903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.190903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.190903 (E_RNA)
where:
Base-Base interactions energy: -146.623
where: short stacking energy: -74.292
Base-Backbone interact. energy: -0.496
local terms energy: -93.072205
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -25.702
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -17.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -152.426454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.426454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.426454 (E_RNA)
where:
Base-Base interactions energy: -58.397
where: short stacking energy: -47.658
Base-Backbone interact. energy: 0.342
local terms energy: -94.371344
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -6.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -120.066284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.066284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.066284 (E_RNA)
where:
Base-Base interactions energy: -38.885
where: short stacking energy: -35.103
Base-Backbone interact. energy: -1.523
local terms energy: -79.658512
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -119.790208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.790208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.790208 (E_RNA)
where:
Base-Base interactions energy: -42.082
where: short stacking energy: -38.212
Base-Backbone interact. energy: -0.479
local terms energy: -77.228723
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -110.142545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.142545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.142545 (E_RNA)
where:
Base-Base interactions energy: -46.319
where: short stacking energy: -46.319
Base-Backbone interact. energy: -0.178
local terms energy: -63.646234
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -5.722
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: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -317.837775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.837775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.837775 (E_RNA)
where:
Base-Base interactions energy: -200.278
where: short stacking energy: -102.637
Base-Backbone interact. energy: -0.546
local terms energy: -117.013492
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -22.301
flat angles P-C4'-P energy: -18.528
tors. eta vs tors. theta energy: -30.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -294.711555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.711555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.711555 (E_RNA)
where:
Base-Base interactions energy: -181.992
where: short stacking energy: -101.337
Base-Backbone interact. energy: -0.110
local terms energy: -112.609611
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -25.506
flat angles P-C4'-P energy: -16.314
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: 385
Temperature: 1.000000
Total energy: -257.875473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.875473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.875473 (E_RNA)
where:
Base-Base interactions energy: -161.466
where: short stacking energy: -82.697
Base-Backbone interact. energy: 1.821
local terms energy: -98.230874
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -25.401
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -15.745
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: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -244.498865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.498865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.498865 (E_RNA)
where:
Base-Base interactions energy: -141.907
where: short stacking energy: -78.956
Base-Backbone interact. energy: -0.022
local terms energy: -102.569508
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -24.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -248.400102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.400102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.400102 (E_RNA)
where:
Base-Base interactions energy: -156.659
where: short stacking energy: -83.655
Base-Backbone interact. energy: -0.098
local terms energy: -91.642929
where:
bonds (distance) C4'-P energy: -23.887
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -22.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -249.059289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.059289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.059289 (E_RNA)
where:
Base-Base interactions energy: -158.296
where: short stacking energy: -72.168
Base-Backbone interact. energy: -0.043
local terms energy: -90.720239
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -118.976665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.976665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.976665 (E_RNA)
where:
Base-Base interactions energy: -34.766
where: short stacking energy: -33.774
Base-Backbone interact. energy: -0.846
local terms energy: -83.364667
where:
bonds (distance) C4'-P energy: -23.196
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -125.048953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.048953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.048953 (E_RNA)
where:
Base-Base interactions energy: -46.994
where: short stacking energy: -46.994
Base-Backbone interact. energy: -0.292
local terms energy: -77.762993
where:
bonds (distance) C4'-P energy: -21.554
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -6.465
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: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -104.295949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.295949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.295949 (E_RNA)
where:
Base-Base interactions energy: -41.238
where: short stacking energy: -39.026
Base-Backbone interact. energy: -0.388
local terms energy: -62.669173
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -7.566
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -102.945911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.945911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.945911 (E_RNA)
where:
Base-Base interactions energy: -34.056
where: short stacking energy: -25.324
Base-Backbone interact. energy: -0.050
local terms energy: -68.839836
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -21.754
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -12.085
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: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -293.264161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.264161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.264161 (E_RNA)
where:
Base-Base interactions energy: -181.857
where: short stacking energy: -109.024
Base-Backbone interact. energy: -0.113
local terms energy: -111.293642
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -27.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -317.331597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.331597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.331597 (E_RNA)
where:
Base-Base interactions energy: -203.817
where: short stacking energy: -106.274
Base-Backbone interact. energy: -0.169
local terms energy: -113.345628
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -30.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -272.156449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.156449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.156449 (E_RNA)
where:
Base-Base interactions energy: -162.466
where: short stacking energy: -85.482
Base-Backbone interact. energy: 0.891
local terms energy: -110.581228
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -21.096
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -26.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -249.863304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.863304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.863304 (E_RNA)
where:
Base-Base interactions energy: -145.655
where: short stacking energy: -88.291
Base-Backbone interact. energy: -0.069
local terms energy: -104.139485
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -26.448
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: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -247.368462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.368462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.368462 (E_RNA)
where:
Base-Base interactions energy: -149.970
where: short stacking energy: -85.037
Base-Backbone interact. energy: -0.449
local terms energy: -96.949834
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -20.462
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: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -243.035778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.035778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.035778 (E_RNA)
where:
Base-Base interactions energy: -149.506
where: short stacking energy: -78.931
Base-Backbone interact. energy: -0.139
local terms energy: -93.390963
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -116.949976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.949976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.949976 (E_RNA)
where:
Base-Base interactions energy: -43.900
where: short stacking energy: -42.744
Base-Backbone interact. energy: -0.153
local terms energy: -72.896446
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -19.993
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -2.474
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -119.426597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.426597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.426597 (E_RNA)
where:
Base-Base interactions energy: -43.258
where: short stacking energy: -43.258
Base-Backbone interact. energy: -0.285
local terms energy: -75.883647
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -111.777684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.777684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.777684 (E_RNA)
where:
Base-Base interactions energy: -31.360
where: short stacking energy: -31.360
Base-Backbone interact. energy: 0.327
local terms energy: -80.744519
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -20.319
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -112.159252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.159252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.159252 (E_RNA)
where:
Base-Base interactions energy: -44.091
where: short stacking energy: -37.375
Base-Backbone interact. energy: -0.686
local terms energy: -67.381632
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -10.644
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: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -278.713333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.713333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.713333 (E_RNA)
where:
Base-Base interactions energy: -166.748
where: short stacking energy: -89.265
Base-Backbone interact. energy: -0.858
local terms energy: -111.107307
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -23.839
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -31.454
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: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -310.399843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.399843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.399843 (E_RNA)
where:
Base-Base interactions energy: -197.197
where: short stacking energy: -100.288
Base-Backbone interact. energy: -0.172
local terms energy: -113.030751
where:
bonds (distance) C4'-P energy: -23.756
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -31.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -271.731442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.731442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.731442 (E_RNA)
where:
Base-Base interactions energy: -161.439
where: short stacking energy: -91.268
Base-Backbone interact. energy: -0.216
local terms energy: -110.077244
where:
bonds (distance) C4'-P energy: -23.316
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -27.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -252.424594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.424594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.424594 (E_RNA)
where:
Base-Base interactions energy: -151.826
where: short stacking energy: -83.117
Base-Backbone interact. energy: -0.509
local terms energy: -100.089798
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -245.705625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.705625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.705625 (E_RNA)
where:
Base-Base interactions energy: -141.250
where: short stacking energy: -88.814
Base-Backbone interact. energy: -0.060
local terms energy: -104.395754
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -23.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -234.336585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.336585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.336585 (E_RNA)
where:
Base-Base interactions energy: -139.695
where: short stacking energy: -78.525
Base-Backbone interact. energy: -0.003
local terms energy: -94.638628
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -23.591
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -18.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -134.403139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.403139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.403139 (E_RNA)
where:
Base-Base interactions energy: -53.963
where: short stacking energy: -44.655
Base-Backbone interact. energy: 1.034
local terms energy: -81.473694
where:
bonds (distance) C4'-P energy: -19.964
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -5.999
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: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -124.042231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.042231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.042231 (E_RNA)
where:
Base-Base interactions energy: -55.241
where: short stacking energy: -43.632
Base-Backbone interact. energy: -0.572
local terms energy: -68.229883
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -16.506
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -116.709375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.709375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.709375 (E_RNA)
where:
Base-Base interactions energy: -35.283
where: short stacking energy: -31.710
Base-Backbone interact. energy: -0.219
local terms energy: -81.207396
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -9.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -96.257829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.257829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.257829 (E_RNA)
where:
Base-Base interactions energy: -33.283
where: short stacking energy: -33.099
Base-Backbone interact. energy: 0.007
local terms energy: -62.981408
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -313.661509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.661509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.661509 (E_RNA)
where:
Base-Base interactions energy: -201.448
where: short stacking energy: -101.713
Base-Backbone interact. energy: -0.176
local terms energy: -112.036849
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -22.981
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -30.109
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: 2, replica: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -294.904890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.904890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.904890 (E_RNA)
where:
Base-Base interactions energy: -183.049
where: short stacking energy: -99.160
Base-Backbone interact. energy: -0.004
local terms energy: -111.851962
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -19.434
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -30.516
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: 388
Temperature: 1.000000
Total energy: -269.876688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.876688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.876688 (E_RNA)
where:
Base-Base interactions energy: -162.579
where: short stacking energy: -89.159
Base-Backbone interact. energy: -0.661
local terms energy: -106.637122
where:
bonds (distance) C4'-P energy: -24.447
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -10.916
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: 388
Temperature: 1.050000
Total energy: -271.871401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.871401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.871401 (E_RNA)
where:
Base-Base interactions energy: -158.845
where: short stacking energy: -96.685
Base-Backbone interact. energy: -0.036
local terms energy: -112.989993
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -25.083
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -30.816
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: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -243.920187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.920187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.920187 (E_RNA)
where:
Base-Base interactions energy: -152.463
where: short stacking energy: -76.794
Base-Backbone interact. energy: 0.170
local terms energy: -91.627119
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -216.421969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.421969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.421969 (E_RNA)
where:
Base-Base interactions energy: -130.781
where: short stacking energy: -77.476
Base-Backbone interact. energy: -0.014
local terms energy: -85.626530
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -23.539
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -18.056
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: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -129.425568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.425568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.425568 (E_RNA)
where:
Base-Base interactions energy: -55.923
where: short stacking energy: -36.664
Base-Backbone interact. energy: -0.106
local terms energy: -73.396261
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -6.014
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: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -121.292463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.292463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.292463 (E_RNA)
where:
Base-Base interactions energy: -40.451
where: short stacking energy: -40.451
Base-Backbone interact. energy: -0.086
local terms energy: -80.755332
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -13.742
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: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -107.529644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.529644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.529644 (E_RNA)
where:
Base-Base interactions energy: -31.438
where: short stacking energy: -31.438
Base-Backbone interact. energy: 4.127
local terms energy: -80.218442
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -109.545930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.545930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.545930 (E_RNA)
where:
Base-Base interactions energy: -42.667
where: short stacking energy: -35.790
Base-Backbone interact. energy: 0.731
local terms energy: -67.610409
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -320.618307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.618307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.618307 (E_RNA)
where:
Base-Base interactions energy: -208.230
where: short stacking energy: -105.287
Base-Backbone interact. energy: -0.132
local terms energy: -112.256626
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -28.966
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: 389
Temperature: 0.950000
Total energy: -256.790808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.790808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.790808 (E_RNA)
where:
Base-Base interactions energy: -157.334
where: short stacking energy: -85.852
Base-Backbone interact. energy: -0.193
local terms energy: -99.262954
where:
bonds (distance) C4'-P energy: -23.664
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -272.471301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.471301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.471301 (E_RNA)
where:
Base-Base interactions energy: -163.166
where: short stacking energy: -92.858
Base-Backbone interact. energy: 1.139
local terms energy: -110.444355
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -28.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -252.140755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.140755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.140755 (E_RNA)
where:
Base-Base interactions energy: -153.841
where: short stacking energy: -84.715
Base-Backbone interact. energy: -0.034
local terms energy: -98.265437
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -25.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -265.454876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.454876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.454876 (E_RNA)
where:
Base-Base interactions energy: -166.602
where: short stacking energy: -87.469
Base-Backbone interact. energy: -0.367
local terms energy: -98.485860
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -214.250431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.250431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.250431 (E_RNA)
where:
Base-Base interactions energy: -126.303
where: short stacking energy: -70.541
Base-Backbone interact. energy: -0.103
local terms energy: -87.844045
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -14.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -138.379532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.379532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.379532 (E_RNA)
where:
Base-Base interactions energy: -59.210
where: short stacking energy: -53.860
Base-Backbone interact. energy: -0.030
local terms energy: -79.139360
where:
bonds (distance) C4'-P energy: -26.375
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -11.100
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: 389
Temperature: 1.250000
Total energy: -126.600294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.600294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.600294 (E_RNA)
where:
Base-Base interactions energy: -60.171
where: short stacking energy: -43.497
Base-Backbone interact. energy: 0.611
local terms energy: -67.039974
where:
bonds (distance) C4'-P energy: -18.925
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -2.197
tors. eta vs tors. theta energy: -9.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -119.808296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.808296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.808296 (E_RNA)
where:
Base-Base interactions energy: -40.843
where: short stacking energy: -39.539
Base-Backbone interact. energy: -0.028
local terms energy: -78.937468
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -6.661
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: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -97.314949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.314949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.314949 (E_RNA)
where:
Base-Base interactions energy: -31.444
where: short stacking energy: -31.444
Base-Backbone interact. energy: -0.357
local terms energy: -65.513759
where:
bonds (distance) C4'-P energy: -23.470
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: 5.275
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: 390
Temperature: 0.900000
Total energy: -317.590537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.590537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.590537 (E_RNA)
where:
Base-Base interactions energy: -206.788
where: short stacking energy: -101.142
Base-Backbone interact. energy: -0.025
local terms energy: -110.777979
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -27.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -311.060570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.060570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.060570 (E_RNA)
where:
Base-Base interactions energy: -191.717
where: short stacking energy: -112.530
Base-Backbone interact. energy: -0.037
local terms energy: -119.306686
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -23.882
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: -35.025
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: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -258.963538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.963538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.963538 (E_RNA)
where:
Base-Base interactions energy: -148.042
where: short stacking energy: -72.570
Base-Backbone interact. energy: -0.069
local terms energy: -110.852798
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -25.980
flat angles P-C4'-P energy: -20.647
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -255.151120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.151120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.151120 (E_RNA)
where:
Base-Base interactions energy: -157.738
where: short stacking energy: -90.787
Base-Backbone interact. energy: -0.099
local terms energy: -97.314838
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -23.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -238.674413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.674413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.674413 (E_RNA)
where:
Base-Base interactions energy: -140.636
where: short stacking energy: -71.786
Base-Backbone interact. energy: 0.301
local terms energy: -98.338822
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -21.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -216.627630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.627630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.627630 (E_RNA)
where:
Base-Base interactions energy: -134.909
where: short stacking energy: -68.895
Base-Backbone interact. energy: -0.156
local terms energy: -81.562224
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -130.016637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.016637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.016637 (E_RNA)
where:
Base-Base interactions energy: -63.324
where: short stacking energy: -21.450
Base-Backbone interact. energy: -0.867
local terms energy: -65.825623
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: 1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -125.104313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.104313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.104313 (E_RNA)
where:
Base-Base interactions energy: -40.223
where: short stacking energy: -41.101
Base-Backbone interact. energy: 0.078
local terms energy: -84.959099
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -25.009
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -118.950825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.950825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.950825 (E_RNA)
where:
Base-Base interactions energy: -35.210
where: short stacking energy: -29.528
Base-Backbone interact. energy: -1.201
local terms energy: -82.538917
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -12.937
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: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -122.257147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.257147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.257147 (E_RNA)
where:
Base-Base interactions energy: -42.023
where: short stacking energy: -42.023
Base-Backbone interact. energy: -0.106
local terms energy: -80.127948
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -8.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -323.348375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.348375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.348375 (E_RNA)
where:
Base-Base interactions energy: -212.891
where: short stacking energy: -101.812
Base-Backbone interact. energy: -0.230
local terms energy: -110.227337
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -29.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -272.912086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.912086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.912086 (E_RNA)
where:
Base-Base interactions energy: -162.773
where: short stacking energy: -93.360
Base-Backbone interact. energy: -0.011
local terms energy: -110.128137
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -26.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -274.606528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.606528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.606528 (E_RNA)
where:
Base-Base interactions energy: -175.592
where: short stacking energy: -101.732
Base-Backbone interact. energy: -0.404
local terms energy: -98.610583
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -25.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -262.036164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.036164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.036164 (E_RNA)
where:
Base-Base interactions energy: -152.966
where: short stacking energy: -78.272
Base-Backbone interact. energy: -0.027
local terms energy: -109.042810
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -23.395
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -253.450806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.450806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.450806 (E_RNA)
where:
Base-Base interactions energy: -153.370
where: short stacking energy: -81.702
Base-Backbone interact. energy: -0.091
local terms energy: -99.990012
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -20.700
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: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -218.297357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.297357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.297357 (E_RNA)
where:
Base-Base interactions energy: -131.012
where: short stacking energy: -70.306
Base-Backbone interact. energy: -0.774
local terms energy: -86.511867
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -14.291
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: 7, replica: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -118.379564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.379564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.379564 (E_RNA)
where:
Base-Base interactions energy: -38.505
where: short stacking energy: -32.534
Base-Backbone interact. energy: 1.166
local terms energy: -81.040926
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -25.681
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -118.785537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.785537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.785537 (E_RNA)
where:
Base-Base interactions energy: -30.305
where: short stacking energy: -29.509
Base-Backbone interact. energy: -0.447
local terms energy: -88.033900
where:
bonds (distance) C4'-P energy: -25.565
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -23.958
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -108.604134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.604134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.604134 (E_RNA)
where:
Base-Base interactions energy: -47.627
where: short stacking energy: -46.586
Base-Backbone interact. energy: -0.232
local terms energy: -60.745364
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -2.887
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -127.041015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.041015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.041015 (E_RNA)
where:
Base-Base interactions energy: -38.302
where: short stacking energy: -39.302
Base-Backbone interact. energy: -0.123
local terms energy: -88.615349
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -16.766
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: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -320.196033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.196033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.196033 (E_RNA)
where:
Base-Base interactions energy: -207.353
where: short stacking energy: -103.687
Base-Backbone interact. energy: -0.217
local terms energy: -112.625935
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -23.341
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -31.859
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: 392
Temperature: 0.950000
Total energy: -274.841029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.841029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.841029 (E_RNA)
where:
Base-Base interactions energy: -170.647
where: short stacking energy: -88.443
Base-Backbone interact. energy: -0.029
local terms energy: -104.165381
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -22.737
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -275.848187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.848187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.848187 (E_RNA)
where:
Base-Base interactions energy: -177.894
where: short stacking energy: -100.949
Base-Backbone interact. energy: -0.057
local terms energy: -97.896997
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -26.303
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: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -254.747902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.747902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.747902 (E_RNA)
where:
Base-Base interactions energy: -152.770
where: short stacking energy: -80.600
Base-Backbone interact. energy: -0.791
local terms energy: -101.187473
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -22.824
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: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -246.811928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.811928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.811928 (E_RNA)
where:
Base-Base interactions energy: -154.180
where: short stacking energy: -73.113
Base-Backbone interact. energy: 0.453
local terms energy: -93.084673
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -21.481
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -203.589715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.589715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.589715 (E_RNA)
where:
Base-Base interactions energy: -116.543
where: short stacking energy: -56.270
Base-Backbone interact. energy: -0.305
local terms energy: -86.741314
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -126.240909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.240909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.240909 (E_RNA)
where:
Base-Base interactions energy: -46.408
where: short stacking energy: -42.499
Base-Backbone interact. energy: -0.244
local terms energy: -79.589494
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -23.749
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -5.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -137.899206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.899206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.899206 (E_RNA)
where:
Base-Base interactions energy: -56.203
where: short stacking energy: -46.379
Base-Backbone interact. energy: -0.092
local terms energy: -81.603443
where:
bonds (distance) C4'-P energy: -20.096
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -10.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -109.323800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.323800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.323800 (E_RNA)
where:
Base-Base interactions energy: -46.295
where: short stacking energy: -40.977
Base-Backbone interact. energy: 0.179
local terms energy: -63.207601
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -105.795685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.795685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.795685 (E_RNA)
where:
Base-Base interactions energy: -32.667
where: short stacking energy: -29.759
Base-Backbone interact. energy: -0.123
local terms energy: -73.005344
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -320.571595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.571595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.571595 (E_RNA)
where:
Base-Base interactions energy: -204.004
where: short stacking energy: -99.484
Base-Backbone interact. energy: -0.174
local terms energy: -116.393161
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -26.344
flat angles P-C4'-P energy: -16.963
tors. eta vs tors. theta energy: -27.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -312.568042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.568042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.568042 (E_RNA)
where:
Base-Base interactions energy: -194.420
where: short stacking energy: -119.606
Base-Backbone interact. energy: -0.359
local terms energy: -117.788760
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -37.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -282.754340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.754340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.754340 (E_RNA)
where:
Base-Base interactions energy: -166.492
where: short stacking energy: -95.744
Base-Backbone interact. energy: -0.042
local terms energy: -116.221109
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -28.575
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: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -269.056491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.056491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.056491 (E_RNA)
where:
Base-Base interactions energy: -164.632
where: short stacking energy: -90.576
Base-Backbone interact. energy: -0.051
local terms energy: -104.373239
where:
bonds (distance) C4'-P energy: -23.039
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -24.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -252.330861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.330861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.330861 (E_RNA)
where:
Base-Base interactions energy: -147.983
where: short stacking energy: -92.729
Base-Backbone interact. energy: -0.047
local terms energy: -104.300347
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -18.373
tors. eta vs tors. theta energy: -28.346
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: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -210.891170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.891170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.891170 (E_RNA)
where:
Base-Base interactions energy: -113.316
where: short stacking energy: -77.418
Base-Backbone interact. energy: -0.707
local terms energy: -96.867897
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -25.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -137.705304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.705304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.705304 (E_RNA)
where:
Base-Base interactions energy: -61.829
where: short stacking energy: -43.930
Base-Backbone interact. energy: 1.011
local terms energy: -76.886453
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -9.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -110.980307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.980307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.980307 (E_RNA)
where:
Base-Base interactions energy: -43.630
where: short stacking energy: -43.730
Base-Backbone interact. energy: -0.025
local terms energy: -67.325644
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -4.670
tors. eta vs tors. theta energy: -1.580
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: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -104.990061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.990061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.990061 (E_RNA)
where:
Base-Base interactions energy: -32.697
where: short stacking energy: -23.446
Base-Backbone interact. energy: -0.289
local terms energy: -72.004359
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: 1.975
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: 393
Temperature: 1.350000
Total energy: -104.438699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.438699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.438699 (E_RNA)
where:
Base-Base interactions energy: -36.805
where: short stacking energy: -36.805
Base-Backbone interact. energy: -0.247
local terms energy: -67.386371
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -330.403280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.403280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.403280 (E_RNA)
where:
Base-Base interactions energy: -209.489
where: short stacking energy: -104.858
Base-Backbone interact. energy: -0.249
local terms energy: -120.665082
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -31.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -279.580822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.580822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.580822 (E_RNA)
where:
Base-Base interactions energy: -170.791
where: short stacking energy: -97.236
Base-Backbone interact. energy: -0.109
local terms energy: -108.681086
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -25.314
flat angles C4'-P-C4' energy: -24.797
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -21.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -273.741379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.741379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.741379 (E_RNA)
where:
Base-Base interactions energy: -170.646
where: short stacking energy: -102.674
Base-Backbone interact. energy: -0.244
local terms energy: -102.850840
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -16.536
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: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -262.575780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.575780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.575780 (E_RNA)
where:
Base-Base interactions energy: -165.056
where: short stacking energy: -93.753
Base-Backbone interact. energy: -0.137
local terms energy: -97.382144
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -19.850
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -24.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -271.500746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.500746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.500746 (E_RNA)
where:
Base-Base interactions energy: -169.741
where: short stacking energy: -90.992
Base-Backbone interact. energy: 0.102
local terms energy: -101.860975
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -22.706
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -224.117832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.117832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.117832 (E_RNA)
where:
Base-Base interactions energy: -133.666
where: short stacking energy: -77.848
Base-Backbone interact. energy: 0.055
local terms energy: -90.507361
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -11.771
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: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -127.534102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.534102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.534102 (E_RNA)
where:
Base-Base interactions energy: -47.267
where: short stacking energy: -38.933
Base-Backbone interact. energy: -0.419
local terms energy: -79.848287
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -21.479
flat angles P-C4'-P energy: -16.358
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: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -132.800194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.800194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.800194 (E_RNA)
where:
Base-Base interactions energy: -58.774
where: short stacking energy: -49.434
Base-Backbone interact. energy: -0.464
local terms energy: -73.562150
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -118.900328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.900328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.900328 (E_RNA)
where:
Base-Base interactions energy: -50.592
where: short stacking energy: -50.592
Base-Backbone interact. energy: 2.151
local terms energy: -70.459539
where:
bonds (distance) C4'-P energy: -23.760
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -6.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -106.799792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.799792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.799792 (E_RNA)
where:
Base-Base interactions energy: -37.745
where: short stacking energy: -37.745
Base-Backbone interact. energy: -0.137
local terms energy: -68.917205
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -10.044
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: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -325.423551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.423551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.423551 (E_RNA)
where:
Base-Base interactions energy: -210.334
where: short stacking energy: -115.635
Base-Backbone interact. energy: -0.012
local terms energy: -115.077675
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -30.877
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: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -283.731278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.731278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.731278 (E_RNA)
where:
Base-Base interactions energy: -174.796
where: short stacking energy: -103.770
Base-Backbone interact. energy: -0.201
local terms energy: -108.734901
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -24.686
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -25.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -274.811433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.811433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.811433 (E_RNA)
where:
Base-Base interactions energy: -172.516
where: short stacking energy: -98.928
Base-Backbone interact. energy: 0.831
local terms energy: -103.127001
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -23.798
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -26.025
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: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -280.739324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.739324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.739324 (E_RNA)
where:
Base-Base interactions energy: -180.056
where: short stacking energy: -102.113
Base-Backbone interact. energy: -0.031
local terms energy: -100.653084
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -26.305
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: 395
Temperature: 1.100000
Total energy: -270.663839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.663839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.663839 (E_RNA)
where:
Base-Base interactions energy: -163.023
where: short stacking energy: -94.538
Base-Backbone interact. energy: -0.239
local terms energy: -107.401469
where:
bonds (distance) C4'-P energy: -22.716
bonds (distance) P-C4' energy: -22.773
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -23.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -219.957167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.957167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.957167 (E_RNA)
where:
Base-Base interactions energy: -131.947
where: short stacking energy: -76.026
Base-Backbone interact. energy: -0.141
local terms energy: -87.868978
where:
bonds (distance) C4'-P energy: -22.128
bonds (distance) P-C4' energy: -23.307
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -4.332
tors. eta vs tors. theta energy: -19.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -126.637336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.637336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.637336 (E_RNA)
where:
Base-Base interactions energy: -50.830
where: short stacking energy: -47.130
Base-Backbone interact. energy: -0.165
local terms energy: -75.641703
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -24.556
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -118.332160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.332160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.332160 (E_RNA)
where:
Base-Base interactions energy: -41.795
where: short stacking energy: -41.795
Base-Backbone interact. energy: -0.500
local terms energy: -76.037414
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -7.707
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: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -103.839686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.839686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.839686 (E_RNA)
where:
Base-Base interactions energy: -43.392
where: short stacking energy: -38.418
Base-Backbone interact. energy: -0.279
local terms energy: -60.168820
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -6.874
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: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -104.943996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.943996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.943996 (E_RNA)
where:
Base-Base interactions energy: -39.026
where: short stacking energy: -37.078
Base-Backbone interact. energy: -0.360
local terms energy: -65.558676
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -9.329
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: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -329.500203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.500203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.500203 (E_RNA)
where:
Base-Base interactions energy: -210.653
where: short stacking energy: -106.584
Base-Backbone interact. energy: -0.082
local terms energy: -118.765397
where:
bonds (distance) C4'-P energy: -24.502
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -24.877
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -30.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -284.638675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.638675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.638675 (E_RNA)
where:
Base-Base interactions energy: -171.640
where: short stacking energy: -98.782
Base-Backbone interact. energy: -0.877
local terms energy: -112.121748
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -22.701
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -28.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -259.463181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.463181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.463181 (E_RNA)
where:
Base-Base interactions energy: -164.746
where: short stacking energy: -87.383
Base-Backbone interact. energy: -1.251
local terms energy: -93.466146
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -251.235462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.235462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.235462 (E_RNA)
where:
Base-Base interactions energy: -153.376
where: short stacking energy: -78.685
Base-Backbone interact. energy: -0.190
local terms energy: -97.668512
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -22.325
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -21.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -256.709548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.709548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.709548 (E_RNA)
where:
Base-Base interactions energy: -155.528
where: short stacking energy: -90.019
Base-Backbone interact. energy: -0.266
local terms energy: -100.914893
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -21.661
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -232.332646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.332646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.332646 (E_RNA)
where:
Base-Base interactions energy: -139.801
where: short stacking energy: -73.157
Base-Backbone interact. energy: -0.109
local terms energy: -92.422666
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -132.985486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.985486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.985486 (E_RNA)
where:
Base-Base interactions energy: -53.975
where: short stacking energy: -53.975
Base-Backbone interact. energy: -0.551
local terms energy: -78.459793
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -126.207986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.207986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.207986 (E_RNA)
where:
Base-Base interactions energy: -59.216
where: short stacking energy: -38.729
Base-Backbone interact. energy: -0.350
local terms energy: -66.641748
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -119.222062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.222062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.222062 (E_RNA)
where:
Base-Base interactions energy: -39.065
where: short stacking energy: -29.292
Base-Backbone interact. energy: -0.201
local terms energy: -79.955608
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -11.992
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: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -97.376133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.376133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.376133 (E_RNA)
where:
Base-Base interactions energy: -42.907
where: short stacking energy: -29.532
Base-Backbone interact. energy: -1.271
local terms energy: -53.198661
where:
bonds (distance) C4'-P energy: -8.764
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -12.513
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: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -327.248865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.248865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.248865 (E_RNA)
where:
Base-Base interactions energy: -207.956
where: short stacking energy: -110.531
Base-Backbone interact. energy: -0.094
local terms energy: -119.199163
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -25.615
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -32.241
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: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -276.397248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.397248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.397248 (E_RNA)
where:
Base-Base interactions energy: -168.112
where: short stacking energy: -84.266
Base-Backbone interact. energy: -0.046
local terms energy: -108.239366
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -24.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -291.048038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.048038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.048038 (E_RNA)
where:
Base-Base interactions energy: -185.549
where: short stacking energy: -103.223
Base-Backbone interact. energy: -0.001
local terms energy: -105.497892
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -27.085
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -28.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -265.758296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.758296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.758296 (E_RNA)
where:
Base-Base interactions energy: -162.148
where: short stacking energy: -86.926
Base-Backbone interact. energy: 2.755
local terms energy: -106.365681
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -18.386
tors. eta vs tors. theta energy: -21.098
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: 5, replica: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -244.147788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.147788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.147788 (E_RNA)
where:
Base-Base interactions energy: -148.713
where: short stacking energy: -78.357
Base-Backbone interact. energy: -0.142
local terms energy: -95.292874
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -18.289
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: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -234.202862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.202862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.202862 (E_RNA)
where:
Base-Base interactions energy: -144.492
where: short stacking energy: -85.249
Base-Backbone interact. energy: -0.245
local terms energy: -89.465269
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -18.691
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -124.868105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.868105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.868105 (E_RNA)
where:
Base-Base interactions energy: -44.572
where: short stacking energy: -41.070
Base-Backbone interact. energy: -2.288
local terms energy: -78.008194
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -24.394
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -139.599974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.599974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.599974 (E_RNA)
where:
Base-Base interactions energy: -62.338
where: short stacking energy: -35.389
Base-Backbone interact. energy: 1.279
local terms energy: -78.540865
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -24.887
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -124.020670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.020670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.020670 (E_RNA)
where:
Base-Base interactions energy: -35.365
where: short stacking energy: -35.365
Base-Backbone interact. energy: -0.016
local terms energy: -88.639923
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -19.414
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: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -108.129516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.129516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.129516 (E_RNA)
where:
Base-Base interactions energy: -35.036
where: short stacking energy: -33.909
Base-Backbone interact. energy: -0.155
local terms energy: -72.939197
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -305.883994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.883994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.883994 (E_RNA)
where:
Base-Base interactions energy: -194.775
where: short stacking energy: -104.560
Base-Backbone interact. energy: -1.878
local terms energy: -109.230796
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -30.539
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: 398
Temperature: 0.950000
Total energy: -315.604955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.604955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.604955 (E_RNA)
where:
Base-Base interactions energy: -202.656
where: short stacking energy: -105.127
Base-Backbone interact. energy: -2.409
local terms energy: -110.539883
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -32.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -277.591722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.591722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.591722 (E_RNA)
where:
Base-Base interactions energy: -177.554
where: short stacking energy: -102.480
Base-Backbone interact. energy: -0.193
local terms energy: -99.844498
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -27.718
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: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -272.107239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.107239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.107239 (E_RNA)
where:
Base-Base interactions energy: -174.868
where: short stacking energy: -80.221
Base-Backbone interact. energy: -0.606
local terms energy: -96.633272
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -21.230
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -13.417
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: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -248.472719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.472719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.472719 (E_RNA)
where:
Base-Base interactions energy: -156.848
where: short stacking energy: -80.143
Base-Backbone interact. energy: -0.202
local terms energy: -91.422796
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -22.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -202.393973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.393973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.393973 (E_RNA)
where:
Base-Base interactions energy: -119.612
where: short stacking energy: -58.512
Base-Backbone interact. energy: -0.210
local terms energy: -82.571718
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -16.383
tors. eta vs tors. theta energy: -12.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -166.269270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.269270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.269270 (E_RNA)
where:
Base-Base interactions energy: -87.242
where: short stacking energy: -50.379
Base-Backbone interact. energy: -0.452
local terms energy: -78.575818
where:
bonds (distance) C4'-P energy: -23.453
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -120.218375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.218375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.218375 (E_RNA)
where:
Base-Base interactions energy: -47.629
where: short stacking energy: -47.629
Base-Backbone interact. energy: -0.586
local terms energy: -72.003147
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -9.798
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: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -119.138581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.138581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.138581 (E_RNA)
where:
Base-Base interactions energy: -50.016
where: short stacking energy: -33.743
Base-Backbone interact. energy: -0.194
local terms energy: -68.928223
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -96.914188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.914188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.914188 (E_RNA)
where:
Base-Base interactions energy: -32.767
where: short stacking energy: -32.210
Base-Backbone interact. energy: -0.121
local terms energy: -64.025854
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -21.294
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -305.270889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.270889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.270889 (E_RNA)
where:
Base-Base interactions energy: -204.597
where: short stacking energy: -104.379
Base-Backbone interact. energy: 1.115
local terms energy: -101.788944
where:
bonds (distance) C4'-P energy: -22.477
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -27.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -288.679432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.679432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.679432 (E_RNA)
where:
Base-Base interactions energy: -188.904
where: short stacking energy: -94.366
Base-Backbone interact. energy: 0.357
local terms energy: -100.132324
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -26.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -310.186669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.186669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.186669 (E_RNA)
where:
Base-Base interactions energy: -198.675
where: short stacking energy: -102.575
Base-Backbone interact. energy: -0.067
local terms energy: -111.445066
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -19.487
tors. eta vs tors. theta energy: -24.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -269.983126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.983126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.983126 (E_RNA)
where:
Base-Base interactions energy: -166.144
where: short stacking energy: -90.378
Base-Backbone interact. energy: -0.068
local terms energy: -103.770858
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -25.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -258.224887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.224887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.224887 (E_RNA)
where:
Base-Base interactions energy: -168.065
where: short stacking energy: -89.552
Base-Backbone interact. energy: -0.104
local terms energy: -90.056197
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -23.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -203.714915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.714915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.714915 (E_RNA)
where:
Base-Base interactions energy: -109.827
where: short stacking energy: -66.785
Base-Backbone interact. energy: -0.050
local terms energy: -93.838663
where:
bonds (distance) C4'-P energy: -22.522
bonds (distance) P-C4' energy: -21.995
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -160.431251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.431251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.431251 (E_RNA)
where:
Base-Base interactions energy: -86.390
where: short stacking energy: -49.181
Base-Backbone interact. energy: 0.063
local terms energy: -74.104616
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -121.183841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.183841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.183841 (E_RNA)
where:
Base-Base interactions energy: -46.904
where: short stacking energy: -39.480
Base-Backbone interact. energy: -0.176
local terms energy: -74.103744
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -118.628752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.628752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.628752 (E_RNA)
where:
Base-Base interactions energy: -45.977
where: short stacking energy: -45.200
Base-Backbone interact. energy: 0.338
local terms energy: -72.989900
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -12.860
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: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -104.048337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.048337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.048337 (E_RNA)
where:
Base-Base interactions energy: -44.055
where: short stacking energy: -23.448
Base-Backbone interact. energy: 1.135
local terms energy: -61.127600
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -9.413
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -2.332
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: 8
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -292.964594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.964594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.964594 (E_RNA)
where:
Base-Base interactions energy: -180.687
where: short stacking energy: -91.395
Base-Backbone interact. energy: -3.292
local terms energy: -108.984720
where:
bonds (distance) C4'-P energy: -22.248
bonds (distance) P-C4' energy: -22.139
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -26.060
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: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -292.423578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.423578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.423578 (E_RNA)
where:
Base-Base interactions energy: -195.680
where: short stacking energy: -100.591
Base-Backbone interact. energy: -0.039
local terms energy: -96.704397
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -27.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -312.063372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.063372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.063372 (E_RNA)
where:
Base-Base interactions energy: -198.689
where: short stacking energy: -99.496
Base-Backbone interact. energy: 1.003
local terms energy: -114.376847
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -26.687
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -31.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -271.698143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.698143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.698143 (E_RNA)
where:
Base-Base interactions energy: -162.510
where: short stacking energy: -89.198
Base-Backbone interact. energy: 0.257
local terms energy: -109.444325
where:
bonds (distance) C4'-P energy: -24.840
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -25.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -240.645911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.645911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.645911 (E_RNA)
where:
Base-Base interactions energy: -143.224
where: short stacking energy: -80.167
Base-Backbone interact. energy: 0.118
local terms energy: -97.539956
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -21.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -221.380810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.380810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.380810 (E_RNA)
where:
Base-Base interactions energy: -131.284
where: short stacking energy: -73.122
Base-Backbone interact. energy: -0.282
local terms energy: -89.814438
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -174.203900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.203900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.203900 (E_RNA)
where:
Base-Base interactions energy: -95.494
where: short stacking energy: -44.392
Base-Backbone interact. energy: -0.444
local terms energy: -78.265958
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -117.014041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.014041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.014041 (E_RNA)
where:
Base-Base interactions energy: -40.705
where: short stacking energy: -35.194
Base-Backbone interact. energy: 0.413
local terms energy: -76.722111
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -99.317918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.317918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.317918 (E_RNA)
where:
Base-Base interactions energy: -34.130
where: short stacking energy: -32.524
Base-Backbone interact. energy: -0.677
local terms energy: -64.510761
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: 1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -102.495058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.495058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.495058 (E_RNA)
where:
Base-Base interactions energy: -28.218
where: short stacking energy: -28.218
Base-Backbone interact. energy: -0.189
local terms energy: -74.088880
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -293.736517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.736517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.736517 (E_RNA)
where:
Base-Base interactions energy: -182.720
where: short stacking energy: -102.350
Base-Backbone interact. energy: -0.073
local terms energy: -110.943489
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -25.568
flat angles P-C4'-P energy: -19.264
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: 4
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -311.456091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.456091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.456091 (E_RNA)
where:
Base-Base interactions energy: -197.810
where: short stacking energy: -91.838
Base-Backbone interact. energy: -0.204
local terms energy: -113.441698
where:
bonds (distance) C4'-P energy: -23.598
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -32.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -268.512546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.512546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.512546 (E_RNA)
where:
Base-Base interactions energy: -165.307
where: short stacking energy: -99.041
Base-Backbone interact. energy: -0.130
local terms energy: -103.075798
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -25.007
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -252.313502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.313502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.313502 (E_RNA)
where:
Base-Base interactions energy: -151.672
where: short stacking energy: -83.623
Base-Backbone interact. energy: -0.154
local terms energy: -100.488192
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -16.904
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: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -246.895961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.895961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.895961 (E_RNA)
where:
Base-Base interactions energy: -152.672
where: short stacking energy: -83.778
Base-Backbone interact. energy: 2.497
local terms energy: -96.721024
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -21.147
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: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -208.915690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.915690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.915690 (E_RNA)
where:
Base-Base interactions energy: -112.340
where: short stacking energy: -66.273
Base-Backbone interact. energy: -0.056
local terms energy: -96.519515
where:
bonds (distance) C4'-P energy: -21.127
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -11.258
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: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -174.054899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.054899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.054899 (E_RNA)
where:
Base-Base interactions energy: -90.905
where: short stacking energy: -62.369
Base-Backbone interact. energy: 0.296
local terms energy: -83.445883
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -121.771564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.771564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.771564 (E_RNA)
where:
Base-Base interactions energy: -42.716
where: short stacking energy: -40.898
Base-Backbone interact. energy: -0.187
local terms energy: -78.868533
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -4.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -118.365454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.365454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.365454 (E_RNA)
where:
Base-Base interactions energy: -44.889
where: short stacking energy: -44.007
Base-Backbone interact. energy: 1.595
local terms energy: -75.070775
where:
bonds (distance) C4'-P energy: -22.319
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -3.538
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: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -110.534025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.534025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.534025 (E_RNA)
where:
Base-Base interactions energy: -39.989
where: short stacking energy: -31.839
Base-Backbone interact. energy: -0.216
local terms energy: -70.329533
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -322.168200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.168200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.168200 (E_RNA)
where:
Base-Base interactions energy: -205.021
where: short stacking energy: -97.812
Base-Backbone interact. energy: -1.676
local terms energy: -115.471568
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -29.161
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: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -289.857200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.857200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.857200 (E_RNA)
where:
Base-Base interactions energy: -183.329
where: short stacking energy: -101.616
Base-Backbone interact. energy: -0.019
local terms energy: -106.509576
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -17.592
tors. eta vs tors. theta energy: -28.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -289.400355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.400355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.400355 (E_RNA)
where:
Base-Base interactions energy: -180.905
where: short stacking energy: -107.284
Base-Backbone interact. energy: -0.367
local terms energy: -108.128700
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -29.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -252.053243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.053243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.053243 (E_RNA)
where:
Base-Base interactions energy: -157.653
where: short stacking energy: -83.769
Base-Backbone interact. energy: -0.795
local terms energy: -93.605100
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -24.147
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -266.108387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.108387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.108387 (E_RNA)
where:
Base-Base interactions energy: -164.952
where: short stacking energy: -87.560
Base-Backbone interact. energy: -0.006
local terms energy: -101.150336
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -25.654
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -24.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -220.482372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.482372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.482372 (E_RNA)
where:
Base-Base interactions energy: -123.993
where: short stacking energy: -78.720
Base-Backbone interact. energy: -0.284
local terms energy: -96.204680
where:
bonds (distance) C4'-P energy: -24.517
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -185.240394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.240394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.240394 (E_RNA)
where:
Base-Base interactions energy: -107.837
where: short stacking energy: -56.079
Base-Backbone interact. energy: -0.371
local terms energy: -77.032795
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -12.458
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: 8, replica: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -115.423488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.423488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.423488 (E_RNA)
where:
Base-Base interactions energy: -44.542
where: short stacking energy: -44.542
Base-Backbone interact. energy: -0.127
local terms energy: -70.754701
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -121.669455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.669455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.669455 (E_RNA)
where:
Base-Base interactions energy: -51.692
where: short stacking energy: -34.806
Base-Backbone interact. energy: -0.653
local terms energy: -69.324378
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -7.772
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: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -119.737026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.737026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.737026 (E_RNA)
where:
Base-Base interactions energy: -50.672
where: short stacking energy: -51.872
Base-Backbone interact. energy: 0.650
local terms energy: -69.714845
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -312.693866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.693866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.693866 (E_RNA)
where:
Base-Base interactions energy: -205.408
where: short stacking energy: -104.590
Base-Backbone interact. energy: -1.589
local terms energy: -105.697586
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -22.854
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -30.764
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: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -290.777873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.777873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.777873 (E_RNA)
where:
Base-Base interactions energy: -171.098
where: short stacking energy: -103.187
Base-Backbone interact. energy: -0.003
local terms energy: -119.676768
where:
bonds (distance) C4'-P energy: -25.800
bonds (distance) P-C4' energy: -22.755
flat angles C4'-P-C4' energy: -27.696
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -28.871
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: 3, replica: 8
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -287.729404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.729404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.729404 (E_RNA)
where:
Base-Base interactions energy: -175.060
where: short stacking energy: -83.982
Base-Backbone interact. energy: -0.195
local terms energy: -112.475135
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -25.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -254.104837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.104837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.104837 (E_RNA)
where:
Base-Base interactions energy: -152.496
where: short stacking energy: -87.379
Base-Backbone interact. energy: -0.063
local terms energy: -101.545944
where:
bonds (distance) C4'-P energy: -23.987
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -24.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -232.964764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.964764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.964764 (E_RNA)
where:
Base-Base interactions energy: -131.698
where: short stacking energy: -64.510
Base-Backbone interact. energy: 1.322
local terms energy: -102.588405
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -25.988
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: -11.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -188.568057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.568057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.568057 (E_RNA)
where:
Base-Base interactions energy: -106.829
where: short stacking energy: -62.852
Base-Backbone interact. energy: -0.182
local terms energy: -81.556734
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -22.449
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -11.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -213.744778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.744778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.744778 (E_RNA)
where:
Base-Base interactions energy: -118.274
where: short stacking energy: -61.643
Base-Backbone interact. energy: -0.065
local terms energy: -95.406406
where:
bonds (distance) C4'-P energy: -22.104
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -21.230
tors. eta vs tors. theta energy: -17.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -118.505755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.505755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.505755 (E_RNA)
where:
Base-Base interactions energy: -35.912
where: short stacking energy: -35.912
Base-Backbone interact. energy: -0.209
local terms energy: -82.384568
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -16.264
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: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -111.118769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.118769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.118769 (E_RNA)
where:
Base-Base interactions energy: -42.629
where: short stacking energy: -35.523
Base-Backbone interact. energy: -0.567
local terms energy: -67.923250
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -12.010
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: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -107.328802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.328802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.328802 (E_RNA)
where:
Base-Base interactions energy: -30.181
where: short stacking energy: -30.181
Base-Backbone interact. energy: -0.111
local terms energy: -77.036153
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -11.154
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: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -303.022063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.022063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.022063 (E_RNA)
where:
Base-Base interactions energy: -201.442
where: short stacking energy: -106.938
Base-Backbone interact. energy: -0.002
local terms energy: -101.578045
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -26.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -297.449543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.449543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.449543 (E_RNA)
where:
Base-Base interactions energy: -187.787
where: short stacking energy: -109.176
Base-Backbone interact. energy: -0.123
local terms energy: -109.539598
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -24.233
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -30.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -287.492597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.492597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.492597 (E_RNA)
where:
Base-Base interactions energy: -172.710
where: short stacking energy: -95.250
Base-Backbone interact. energy: 0.126
local terms energy: -114.908804
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -29.032
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: 5
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -260.370789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.370789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.370789 (E_RNA)
where:
Base-Base interactions energy: -157.485
where: short stacking energy: -86.169
Base-Backbone interact. energy: 0.138
local terms energy: -103.024373
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -19.753
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: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -218.041262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.041262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.041262 (E_RNA)
where:
Base-Base interactions energy: -130.435
where: short stacking energy: -69.341
Base-Backbone interact. energy: -0.042
local terms energy: -87.563743
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -169.650501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.650501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.650501 (E_RNA)
where:
Base-Base interactions energy: -86.917
where: short stacking energy: -59.104
Base-Backbone interact. energy: -0.445
local terms energy: -82.287861
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -12.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -209.325008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.325008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.325008 (E_RNA)
where:
Base-Base interactions energy: -121.954
where: short stacking energy: -71.733
Base-Backbone interact. energy: 1.607
local terms energy: -88.978054
where:
bonds (distance) C4'-P energy: -20.912
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -12.683
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: 8, replica: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -134.315831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.315831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.315831 (E_RNA)
where:
Base-Base interactions energy: -56.937
where: short stacking energy: -56.937
Base-Backbone interact. energy: 0.001
local terms energy: -77.379408
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -12.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -113.928866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.928866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.928866 (E_RNA)
where:
Base-Base interactions energy: -40.218
where: short stacking energy: -38.025
Base-Backbone interact. energy: -0.247
local terms energy: -73.463582
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -100.910824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.910824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.910824 (E_RNA)
where:
Base-Base interactions energy: -33.128
where: short stacking energy: -26.567
Base-Backbone interact. energy: 1.030
local terms energy: -68.812236
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -11.994
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: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -321.636539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.636539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.636539 (E_RNA)
where:
Base-Base interactions energy: -208.894
where: short stacking energy: -107.826
Base-Backbone interact. energy: -0.100
local terms energy: -112.643044
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -29.678
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: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -289.469515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.469515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.469515 (E_RNA)
where:
Base-Base interactions energy: -183.534
where: short stacking energy: -107.076
Base-Backbone interact. energy: -0.091
local terms energy: -105.844343
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: -28.231
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: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -303.230785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.230785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.230785 (E_RNA)
where:
Base-Base interactions energy: -189.015
where: short stacking energy: -103.967
Base-Backbone interact. energy: -0.075
local terms energy: -114.140139
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -31.438
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: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -251.034335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.034335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.034335 (E_RNA)
where:
Base-Base interactions energy: -155.394
where: short stacking energy: -86.291
Base-Backbone interact. energy: -0.129
local terms energy: -95.511464
where:
bonds (distance) C4'-P energy: -22.448
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -19.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -240.265993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.265993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.265993 (E_RNA)
where:
Base-Base interactions energy: -143.746
where: short stacking energy: -79.309
Base-Backbone interact. energy: -0.302
local terms energy: -96.218028
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -23.175
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -200.994123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.994123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.994123 (E_RNA)
where:
Base-Base interactions energy: -125.490
where: short stacking energy: -65.608
Base-Backbone interact. energy: -0.254
local terms energy: -75.250414
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -10.414
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: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -170.454752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.454752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.454752 (E_RNA)
where:
Base-Base interactions energy: -93.968
where: short stacking energy: -55.596
Base-Backbone interact. energy: -0.078
local terms energy: -76.408972
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -9.318
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: 405
Temperature: 1.250000
Total energy: -134.467396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.467396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.467396 (E_RNA)
where:
Base-Base interactions energy: -61.297
where: short stacking energy: -58.240
Base-Backbone interact. energy: -0.123
local terms energy: -73.046827
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -113.299615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.299615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.299615 (E_RNA)
where:
Base-Base interactions energy: -44.325
where: short stacking energy: -44.181
Base-Backbone interact. energy: -0.207
local terms energy: -68.767890
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -5.504
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: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -120.372616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.372616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.372616 (E_RNA)
where:
Base-Base interactions energy: -54.202
where: short stacking energy: -42.327
Base-Backbone interact. energy: -0.207
local terms energy: -65.963498
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -323.237143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.237143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.237143 (E_RNA)
where:
Base-Base interactions energy: -201.029
where: short stacking energy: -108.408
Base-Backbone interact. energy: -0.302
local terms energy: -121.905506
where:
bonds (distance) C4'-P energy: -23.358
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -26.107
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: -33.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -293.590101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.590101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.590101 (E_RNA)
where:
Base-Base interactions energy: -180.877
where: short stacking energy: -97.808
Base-Backbone interact. energy: -0.141
local terms energy: -112.571591
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -25.165
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -29.250
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: 8
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -283.853960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.853960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.853960 (E_RNA)
where:
Base-Base interactions energy: -176.043
where: short stacking energy: -100.121
Base-Backbone interact. energy: -0.020
local terms energy: -107.791611
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -30.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -236.485371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.485371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.485371 (E_RNA)
where:
Base-Base interactions energy: -143.920
where: short stacking energy: -74.605
Base-Backbone interact. energy: -0.315
local terms energy: -92.250195
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -24.137
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -223.997591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.997591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.997591 (E_RNA)
where:
Base-Base interactions energy: -128.390
where: short stacking energy: -70.605
Base-Backbone interact. energy: -0.159
local terms energy: -95.448650
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -248.514536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.514536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.514536 (E_RNA)
where:
Base-Base interactions energy: -149.552
where: short stacking energy: -78.994
Base-Backbone interact. energy: -0.291
local terms energy: -98.671364
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -26.023
flat angles C4'-P-C4' energy: -23.958
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -18.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -165.207991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.207991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.207991 (E_RNA)
where:
Base-Base interactions energy: -93.210
where: short stacking energy: -53.493
Base-Backbone interact. energy: -0.265
local terms energy: -71.732938
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -17.384
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -2.688
tors. eta vs tors. theta energy: -7.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -123.364805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.364805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.364805 (E_RNA)
where:
Base-Base interactions energy: -57.113
where: short stacking energy: -45.574
Base-Backbone interact. energy: -0.246
local terms energy: -66.005823
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -25.072
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -113.146561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.146561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.146561 (E_RNA)
where:
Base-Base interactions energy: -42.852
where: short stacking energy: -38.725
Base-Backbone interact. energy: -0.300
local terms energy: -69.993874
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -22.171
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -105.408848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.408848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.408848 (E_RNA)
where:
Base-Base interactions energy: -29.393
where: short stacking energy: -27.072
Base-Backbone interact. energy: -1.316
local terms energy: -74.699934
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: 3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -326.198057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.198057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.198057 (E_RNA)
where:
Base-Base interactions energy: -208.381
where: short stacking energy: -105.181
Base-Backbone interact. energy: -0.047
local terms energy: -117.770239
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -26.340
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: -31.147
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: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -299.192657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.192657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.192657 (E_RNA)
where:
Base-Base interactions energy: -178.676
where: short stacking energy: -101.522
Base-Backbone interact. energy: -0.049
local terms energy: -120.467724
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -27.385
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -30.733
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: 407
Temperature: 1.000000
Total energy: -278.841346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.841346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.841346 (E_RNA)
where:
Base-Base interactions energy: -161.304
where: short stacking energy: -89.600
Base-Backbone interact. energy: -0.098
local terms energy: -117.439364
where:
bonds (distance) C4'-P energy: -24.852
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -23.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -251.759024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.759024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.759024 (E_RNA)
where:
Base-Base interactions energy: -153.424
where: short stacking energy: -81.772
Base-Backbone interact. energy: -0.007
local terms energy: -98.328637
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -23.588
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -218.992247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.992247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.992247 (E_RNA)
where:
Base-Base interactions energy: -123.259
where: short stacking energy: -78.375
Base-Backbone interact. energy: 0.133
local terms energy: -95.866445
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -22.505
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -245.282962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.282962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.282962 (E_RNA)
where:
Base-Base interactions energy: -150.814
where: short stacking energy: -77.654
Base-Backbone interact. energy: -0.101
local terms energy: -94.368469
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -20.572
flat angles C4'-P-C4' energy: -23.959
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -162.468977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.468977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.468977 (E_RNA)
where:
Base-Base interactions energy: -80.163
where: short stacking energy: -53.423
Base-Backbone interact. energy: -0.117
local terms energy: -82.189168
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -10.081
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: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -123.058694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.058694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.058694 (E_RNA)
where:
Base-Base interactions energy: -52.945
where: short stacking energy: -52.945
Base-Backbone interact. energy: 0.602
local terms energy: -70.716039
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -8.975
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: 9, replica: 3
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -110.820909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.820909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.820909 (E_RNA)
where:
Base-Base interactions energy: -32.736
where: short stacking energy: -29.557
Base-Backbone interact. energy: -0.259
local terms energy: -77.825877
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -20.509
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -3.538
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: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -115.006120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.006120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.006120 (E_RNA)
where:
Base-Base interactions energy: -33.839
where: short stacking energy: -24.325
Base-Backbone interact. energy: -0.224
local terms energy: -80.942926
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -332.702338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.702338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.702338 (E_RNA)
where:
Base-Base interactions energy: -217.886
where: short stacking energy: -105.413
Base-Backbone interact. energy: 0.530
local terms energy: -115.346648
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -25.846
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -30.875
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: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -298.670122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.670122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.670122 (E_RNA)
where:
Base-Base interactions energy: -184.046
where: short stacking energy: -110.874
Base-Backbone interact. energy: -0.015
local terms energy: -114.609189
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -32.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -253.577757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.577757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.577757 (E_RNA)
where:
Base-Base interactions energy: -148.436
where: short stacking energy: -77.267
Base-Backbone interact. energy: -0.160
local terms energy: -104.981920
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -259.681004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.681004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.681004 (E_RNA)
where:
Base-Base interactions energy: -159.881
where: short stacking energy: -84.751
Base-Backbone interact. energy: -0.658
local terms energy: -99.142309
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -17.832
tors. eta vs tors. theta energy: -24.357
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: 408
Temperature: 1.100000
Total energy: -280.201131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.201131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.201131 (E_RNA)
where:
Base-Base interactions energy: -171.849
where: short stacking energy: -94.339
Base-Backbone interact. energy: -0.163
local terms energy: -108.189139
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -29.087
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: 408
Temperature: 1.150000
Total energy: -208.761739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.761739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.761739 (E_RNA)
where:
Base-Base interactions energy: -120.770
where: short stacking energy: -63.170
Base-Backbone interact. energy: 0.142
local terms energy: -88.133974
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -14.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -159.373753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.373753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.373753 (E_RNA)
where:
Base-Base interactions energy: -90.572
where: short stacking energy: -52.718
Base-Backbone interact. energy: 0.244
local terms energy: -69.045964
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -7.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -119.573288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.573288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.573288 (E_RNA)
where:
Base-Base interactions energy: -41.161
where: short stacking energy: -35.014
Base-Backbone interact. energy: -0.301
local terms energy: -78.111239
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: 1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -114.845318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.845318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.845318 (E_RNA)
where:
Base-Base interactions energy: -39.520
where: short stacking energy: -31.706
Base-Backbone interact. energy: -0.109
local terms energy: -75.215960
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -110.836367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.836367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.836367 (E_RNA)
where:
Base-Base interactions energy: -38.733
where: short stacking energy: -32.600
Base-Backbone interact. energy: -0.222
local terms energy: -71.882017
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -4.498
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -329.709412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.709412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.709412 (E_RNA)
where:
Base-Base interactions energy: -211.106
where: short stacking energy: -107.001
Base-Backbone interact. energy: -0.478
local terms energy: -118.126059
where:
bonds (distance) C4'-P energy: -24.952
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -32.304
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: 409
Temperature: 0.950000
Total energy: -297.442334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.442334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.442334 (E_RNA)
where:
Base-Base interactions energy: -186.989
where: short stacking energy: -106.353
Base-Backbone interact. energy: -0.137
local terms energy: -110.316895
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -29.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -267.211440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.211440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.211440 (E_RNA)
where:
Base-Base interactions energy: -164.359
where: short stacking energy: -84.732
Base-Backbone interact. energy: -0.264
local terms energy: -102.588834
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -20.408
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: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -283.493161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.493161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.493161 (E_RNA)
where:
Base-Base interactions energy: -173.096
where: short stacking energy: -100.054
Base-Backbone interact. energy: -0.011
local terms energy: -110.386429
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -27.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -271.570164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.570164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.570164 (E_RNA)
where:
Base-Base interactions energy: -169.498
where: short stacking energy: -77.422
Base-Backbone interact. energy: 0.190
local terms energy: -102.261974
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -24.912
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: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -182.402050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.402050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.402050 (E_RNA)
where:
Base-Base interactions energy: -96.541
where: short stacking energy: -54.932
Base-Backbone interact. energy: -0.132
local terms energy: -85.728505
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -196.810239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.810239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.810239 (E_RNA)
where:
Base-Base interactions energy: -102.351
where: short stacking energy: -57.756
Base-Backbone interact. energy: -0.543
local terms energy: -93.916728
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -118.847199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.847199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.847199 (E_RNA)
where:
Base-Base interactions energy: -51.546
where: short stacking energy: -48.921
Base-Backbone interact. energy: 0.129
local terms energy: -67.429271
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -116.370971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.370971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.370971 (E_RNA)
where:
Base-Base interactions energy: -42.175
where: short stacking energy: -42.175
Base-Backbone interact. energy: -0.252
local terms energy: -73.944908
where:
bonds (distance) C4'-P energy: -19.004
bonds (distance) P-C4' energy: -25.564
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -103.909268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.909268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.909268 (E_RNA)
where:
Base-Base interactions energy: -37.890
where: short stacking energy: -34.462
Base-Backbone interact. energy: -0.307
local terms energy: -65.712623
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -301.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.189895 (E_RNA)
where:
Base-Base interactions energy: -188.869
where: short stacking energy: -101.418
Base-Backbone interact. energy: -0.035
local terms energy: -112.286171
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -23.601
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -30.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -308.258131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.258131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.258131 (E_RNA)
where:
Base-Base interactions energy: -195.329
where: short stacking energy: -96.972
Base-Backbone interact. energy: -0.514
local terms energy: -112.414557
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -24.583
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -27.117
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: 8
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -288.765169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.765169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.765169 (E_RNA)
where:
Base-Base interactions energy: -174.873
where: short stacking energy: -102.668
Base-Backbone interact. energy: -0.001
local terms energy: -113.891388
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -24.200
flat angles C4'-P-C4' energy: -22.783
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -32.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -272.897068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.897068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.897068 (E_RNA)
where:
Base-Base interactions energy: -158.553
where: short stacking energy: -85.040
Base-Backbone interact. energy: -0.104
local terms energy: -114.240335
where:
bonds (distance) C4'-P energy: -24.472
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -27.821
flat angles P-C4'-P energy: -13.532
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: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -255.938491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.938491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.938491 (E_RNA)
where:
Base-Base interactions energy: -162.172
where: short stacking energy: -89.296
Base-Backbone interact. energy: -0.086
local terms energy: -93.680531
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -27.176
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: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -206.294681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.294681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.294681 (E_RNA)
where:
Base-Base interactions energy: -118.651
where: short stacking energy: -53.330
Base-Backbone interact. energy: -0.143
local terms energy: -87.500485
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -237.539032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.539032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.539032 (E_RNA)
where:
Base-Base interactions energy: -135.583
where: short stacking energy: -65.318
Base-Backbone interact. energy: -0.135
local terms energy: -101.821048
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -24.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -112.094532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.094532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.094532 (E_RNA)
where:
Base-Base interactions energy: -38.765
where: short stacking energy: -38.765
Base-Backbone interact. energy: -0.063
local terms energy: -73.266324
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -106.931180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.931180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.931180 (E_RNA)
where:
Base-Base interactions energy: -45.466
where: short stacking energy: -38.456
Base-Backbone interact. energy: 0.217
local terms energy: -61.682015
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -15.627
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: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -111.210009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.210009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.210009 (E_RNA)
where:
Base-Base interactions energy: -47.111
where: short stacking energy: -43.453
Base-Backbone interact. energy: -0.278
local terms energy: -63.821564
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: 0.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -293.706604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.706604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.706604 (E_RNA)
where:
Base-Base interactions energy: -179.936
where: short stacking energy: -103.590
Base-Backbone interact. energy: 1.303
local terms energy: -115.074192
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -28.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -310.067273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.067273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.067273 (E_RNA)
where:
Base-Base interactions energy: -195.215
where: short stacking energy: -107.178
Base-Backbone interact. energy: -0.044
local terms energy: -114.808174
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -30.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -291.294291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.294291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.294291 (E_RNA)
where:
Base-Base interactions energy: -181.143
where: short stacking energy: -97.385
Base-Backbone interact. energy: 0.674
local terms energy: -110.825532
where:
bonds (distance) C4'-P energy: -22.716
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -18.673
tors. eta vs tors. theta energy: -25.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -279.160548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.160548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.160548 (E_RNA)
where:
Base-Base interactions energy: -178.496
where: short stacking energy: -100.385
Base-Backbone interact. energy: -0.196
local terms energy: -100.468760
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -20.663
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -22.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -238.445307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.445307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.445307 (E_RNA)
where:
Base-Base interactions energy: -147.447
where: short stacking energy: -81.040
Base-Backbone interact. energy: -0.254
local terms energy: -90.744015
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -189.597978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.597978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.597978 (E_RNA)
where:
Base-Base interactions energy: -101.564
where: short stacking energy: -61.981
Base-Backbone interact. energy: -0.254
local terms energy: -87.780575
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -26.132
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -13.896
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: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -160.679078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.679078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.679078 (E_RNA)
where:
Base-Base interactions energy: -86.251
where: short stacking energy: -56.053
Base-Backbone interact. energy: -0.270
local terms energy: -74.158332
where:
bonds (distance) C4'-P energy: -21.525
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -122.742607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.742607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.742607 (E_RNA)
where:
Base-Base interactions energy: -52.990
where: short stacking energy: -28.849
Base-Backbone interact. energy: -0.307
local terms energy: -69.444731
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -111.410985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.410985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.410985 (E_RNA)
where:
Base-Base interactions energy: -37.578
where: short stacking energy: -37.578
Base-Backbone interact. energy: 0.111
local terms energy: -73.944157
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -112.583811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.583811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.583811 (E_RNA)
where:
Base-Base interactions energy: -42.507
where: short stacking energy: -39.251
Base-Backbone interact. energy: -0.165
local terms energy: -69.911674
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -319.399668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.399668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.399668 (E_RNA)
where:
Base-Base interactions energy: -198.264
where: short stacking energy: -113.327
Base-Backbone interact. energy: 0.057
local terms energy: -121.193023
where:
bonds (distance) C4'-P energy: -24.878
bonds (distance) P-C4' energy: -24.248
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -30.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -306.055156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.055156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.055156 (E_RNA)
where:
Base-Base interactions energy: -192.459
where: short stacking energy: -102.900
Base-Backbone interact. energy: -0.065
local terms energy: -113.530502
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -29.242
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: 3, replica: 8
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -289.726398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.726398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.726398 (E_RNA)
where:
Base-Base interactions energy: -171.401
where: short stacking energy: -103.498
Base-Backbone interact. energy: -0.073
local terms energy: -118.252282
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -26.570
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -33.984
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: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -245.997437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.997437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.997437 (E_RNA)
where:
Base-Base interactions energy: -153.012
where: short stacking energy: -81.067
Base-Backbone interact. energy: -0.197
local terms energy: -92.789020
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -243.395998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.395998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.395998 (E_RNA)
where:
Base-Base interactions energy: -143.904
where: short stacking energy: -81.331
Base-Backbone interact. energy: -0.162
local terms energy: -99.329838
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -19.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -215.678663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.678663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.678663 (E_RNA)
where:
Base-Base interactions energy: -129.193
where: short stacking energy: -76.247
Base-Backbone interact. energy: 2.442
local terms energy: -88.927300
where:
bonds (distance) C4'-P energy: -19.480
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -180.354595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.354595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.354595 (E_RNA)
where:
Base-Base interactions energy: -97.146
where: short stacking energy: -53.207
Base-Backbone interact. energy: -0.177
local terms energy: -83.031582
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -6.744
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: 8, replica: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -115.722640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.722640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.722640 (E_RNA)
where:
Base-Base interactions energy: -45.017
where: short stacking energy: -34.720
Base-Backbone interact. energy: 1.339
local terms energy: -72.044929
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: 3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -105.817518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.817518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.817518 (E_RNA)
where:
Base-Base interactions energy: -43.808
where: short stacking energy: -32.800
Base-Backbone interact. energy: 0.057
local terms energy: -62.066142
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -109.379086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.379086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.379086 (E_RNA)
where:
Base-Base interactions energy: -41.222
where: short stacking energy: -36.968
Base-Backbone interact. energy: -1.433
local terms energy: -66.724365
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -331.783147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.783147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.783147 (E_RNA)
where:
Base-Base interactions energy: -214.616
where: short stacking energy: -109.601
Base-Backbone interact. energy: -0.163
local terms energy: -117.004880
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -27.539
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: -33.186
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: 2, replica: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -286.744112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.744112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.744112 (E_RNA)
where:
Base-Base interactions energy: -191.881
where: short stacking energy: -96.444
Base-Backbone interact. energy: -0.356
local terms energy: -94.507234
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -23.209
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -24.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -288.317759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.317759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.317759 (E_RNA)
where:
Base-Base interactions energy: -187.797
where: short stacking energy: -99.300
Base-Backbone interact. energy: -0.025
local terms energy: -100.495455
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -27.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -246.855535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.855535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.855535 (E_RNA)
where:
Base-Base interactions energy: -160.258
where: short stacking energy: -87.498
Base-Backbone interact. energy: -0.648
local terms energy: -85.949804
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -18.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -248.695730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.695730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.695730 (E_RNA)
where:
Base-Base interactions energy: -142.917
where: short stacking energy: -78.887
Base-Backbone interact. energy: -0.763
local terms energy: -105.015333
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -25.117
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -202.421960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.421960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.421960 (E_RNA)
where:
Base-Base interactions energy: -107.808
where: short stacking energy: -68.892
Base-Backbone interact. energy: -0.139
local terms energy: -94.475017
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -16.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -168.130397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.130397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.130397 (E_RNA)
where:
Base-Base interactions energy: -94.426
where: short stacking energy: -57.410
Base-Backbone interact. energy: -0.116
local terms energy: -73.588545
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -5.932
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: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -129.631728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.631728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.631728 (E_RNA)
where:
Base-Base interactions energy: -58.863
where: short stacking energy: -40.891
Base-Backbone interact. energy: -0.179
local terms energy: -70.589027
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -8.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -108.356314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.356314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.356314 (E_RNA)
where:
Base-Base interactions energy: -49.926
where: short stacking energy: -49.926
Base-Backbone interact. energy: -0.294
local terms energy: -58.136196
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -2.840
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: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -105.071343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.071343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.071343 (E_RNA)
where:
Base-Base interactions energy: -37.452
where: short stacking energy: -33.841
Base-Backbone interact. energy: -0.471
local terms energy: -67.148970
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -11.487
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: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -306.289837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.289837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.289837 (E_RNA)
where:
Base-Base interactions energy: -183.174
where: short stacking energy: -111.093
Base-Backbone interact. energy: 2.115
local terms energy: -125.230704
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -26.453
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -30.462
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: 414
Temperature: 0.950000
Total energy: -295.351638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.351638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.351638 (E_RNA)
where:
Base-Base interactions energy: -196.708
where: short stacking energy: -98.483
Base-Backbone interact. energy: -0.521
local terms energy: -98.122422
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -27.820
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: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -273.013776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.013776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.013776 (E_RNA)
where:
Base-Base interactions energy: -169.431
where: short stacking energy: -91.880
Base-Backbone interact. energy: 1.019
local terms energy: -104.601518
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -24.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -269.899134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.899134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.899134 (E_RNA)
where:
Base-Base interactions energy: -164.947
where: short stacking energy: -85.989
Base-Backbone interact. energy: 0.062
local terms energy: -105.014101
where:
bonds (distance) C4'-P energy: -24.351
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -25.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -230.374061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.374061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.374061 (E_RNA)
where:
Base-Base interactions energy: -144.596
where: short stacking energy: -64.118
Base-Backbone interact. energy: -0.077
local terms energy: -85.701174
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -208.768904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.768904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.768904 (E_RNA)
where:
Base-Base interactions energy: -118.921
where: short stacking energy: -65.586
Base-Backbone interact. energy: -0.318
local terms energy: -89.529353
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -9.629
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: 414
Temperature: 1.200000
Total energy: -147.114735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.114735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.114735 (E_RNA)
where:
Base-Base interactions energy: -69.542
where: short stacking energy: -43.583
Base-Backbone interact. energy: -0.098
local terms energy: -77.474377
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -23.192
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -127.693570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.693570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.693570 (E_RNA)
where:
Base-Base interactions energy: -50.078
where: short stacking energy: -47.512
Base-Backbone interact. energy: -0.279
local terms energy: -77.335620
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -15.908
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: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -125.181625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.181625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.181625 (E_RNA)
where:
Base-Base interactions energy: -44.470
where: short stacking energy: -36.289
Base-Backbone interact. energy: -0.374
local terms energy: -80.338022
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -9.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -105.331222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.331222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.331222 (E_RNA)
where:
Base-Base interactions energy: -34.428
where: short stacking energy: -34.428
Base-Backbone interact. energy: -0.339
local terms energy: -70.564939
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: 3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -310.580599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.580599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.580599 (E_RNA)
where:
Base-Base interactions energy: -194.463
where: short stacking energy: -112.090
Base-Backbone interact. energy: 0.206
local terms energy: -116.324085
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: -32.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -318.629631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.629631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.629631 (E_RNA)
where:
Base-Base interactions energy: -199.982
where: short stacking energy: -100.102
Base-Backbone interact. energy: 0.039
local terms energy: -118.687280
where:
bonds (distance) C4'-P energy: -23.716
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -31.003
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: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -281.846804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.846804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.846804 (E_RNA)
where:
Base-Base interactions energy: -173.237
where: short stacking energy: -97.815
Base-Backbone interact. energy: -0.339
local terms energy: -108.270055
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -27.304
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -23.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -272.718485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.718485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.718485 (E_RNA)
where:
Base-Base interactions energy: -164.760
where: short stacking energy: -89.847
Base-Backbone interact. energy: -0.352
local terms energy: -107.606709
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -23.313
flat angles P-C4'-P energy: -18.533
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: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -235.241766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.241766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.241766 (E_RNA)
where:
Base-Base interactions energy: -140.127
where: short stacking energy: -67.508
Base-Backbone interact. energy: -0.131
local terms energy: -94.983502
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -132.675866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.675866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.675866 (E_RNA)
where:
Base-Base interactions energy: -54.586
where: short stacking energy: -51.466
Base-Backbone interact. energy: -1.477
local terms energy: -76.612968
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -210.739492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.739492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.739492 (E_RNA)
where:
Base-Base interactions energy: -123.355
where: short stacking energy: -76.146
Base-Backbone interact. energy: -0.010
local terms energy: -87.374411
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -17.782
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: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -136.474501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.474501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.474501 (E_RNA)
where:
Base-Base interactions energy: -56.287
where: short stacking energy: -33.359
Base-Backbone interact. energy: -0.364
local terms energy: -79.823468
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -7.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -116.228217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.228217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.228217 (E_RNA)
where:
Base-Base interactions energy: -46.192
where: short stacking energy: -46.192
Base-Backbone interact. energy: -0.197
local terms energy: -69.840129
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -8.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -112.940918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.940918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.940918 (E_RNA)
where:
Base-Base interactions energy: -39.610
where: short stacking energy: -26.810
Base-Backbone interact. energy: -0.182
local terms energy: -73.149537
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -329.433231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.433231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.433231 (E_RNA)
where:
Base-Base interactions energy: -212.349
where: short stacking energy: -117.307
Base-Backbone interact. energy: 2.064
local terms energy: -119.147961
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -25.443
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -33.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -300.977243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.977243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.977243 (E_RNA)
where:
Base-Base interactions energy: -183.086
where: short stacking energy: -106.047
Base-Backbone interact. energy: -0.180
local terms energy: -117.711751
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -35.552
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: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -281.233597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.233597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.233597 (E_RNA)
where:
Base-Base interactions energy: -174.905
where: short stacking energy: -97.384
Base-Backbone interact. energy: -0.113
local terms energy: -106.215929
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -24.904
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: 4, replica: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -252.906391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.906391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.906391 (E_RNA)
where:
Base-Base interactions energy: -154.789
where: short stacking energy: -85.391
Base-Backbone interact. energy: -0.131
local terms energy: -97.986705
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -22.880
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -21.269
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: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -242.494602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.494602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.494602 (E_RNA)
where:
Base-Base interactions energy: -151.271
where: short stacking energy: -82.057
Base-Backbone interact. energy: -0.061
local terms energy: -91.162823
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -25.303
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -20.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -142.819135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.819135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.819135 (E_RNA)
where:
Base-Base interactions energy: -57.350
where: short stacking energy: -47.035
Base-Backbone interact. energy: 0.081
local terms energy: -85.549478
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -24.255
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -12.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -221.305432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.305432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.305432 (E_RNA)
where:
Base-Base interactions energy: -129.833
where: short stacking energy: -72.522
Base-Backbone interact. energy: -0.118
local terms energy: -91.354170
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -16.936
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: 8, replica: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -126.701259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.701259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.701259 (E_RNA)
where:
Base-Base interactions energy: -62.093
where: short stacking energy: -38.885
Base-Backbone interact. energy: -0.208
local terms energy: -64.399575
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -125.888955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.888955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.888955 (E_RNA)
where:
Base-Base interactions energy: -60.979
where: short stacking energy: -26.627
Base-Backbone interact. energy: -0.631
local terms energy: -64.279080
where:
bonds (distance) C4'-P energy: -10.010
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: 2.305
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: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -104.580803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.580803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.580803 (E_RNA)
where:
Base-Base interactions energy: -41.141
where: short stacking energy: -39.111
Base-Backbone interact. energy: -0.567
local terms energy: -62.872701
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: 4.790
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: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -320.278430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.278430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.278430 (E_RNA)
where:
Base-Base interactions energy: -207.457
where: short stacking energy: -100.600
Base-Backbone interact. energy: -0.375
local terms energy: -112.445889
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -24.988
flat angles P-C4'-P energy: -18.978
tors. eta vs tors. theta energy: -27.791
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: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -284.255929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.255929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.255929 (E_RNA)
where:
Base-Base interactions energy: -180.445
where: short stacking energy: -98.901
Base-Backbone interact. energy: -0.290
local terms energy: -103.521211
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -25.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -278.003898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.003898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.003898 (E_RNA)
where:
Base-Base interactions energy: -171.996
where: short stacking energy: -97.909
Base-Backbone interact. energy: -0.036
local terms energy: -105.971369
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -24.037
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -24.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -273.813553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.813553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.813553 (E_RNA)
where:
Base-Base interactions energy: -162.461
where: short stacking energy: -94.997
Base-Backbone interact. energy: 0.013
local terms energy: -111.366262
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -24.147
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -30.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -248.534015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.534015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.534015 (E_RNA)
where:
Base-Base interactions energy: -160.685
where: short stacking energy: -81.624
Base-Backbone interact. energy: -0.348
local terms energy: -87.500866
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -18.004
tors. eta vs tors. theta energy: -17.077
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: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -234.705910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.705910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.705910 (E_RNA)
where:
Base-Base interactions energy: -140.679
where: short stacking energy: -75.111
Base-Backbone interact. energy: -0.247
local terms energy: -93.779497
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -19.300
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -134.456266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.456266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.456266 (E_RNA)
where:
Base-Base interactions energy: -47.041
where: short stacking energy: -49.383
Base-Backbone interact. energy: -0.093
local terms energy: -87.322385
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -25.818
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -8.536
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: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -124.091740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.091740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.091740 (E_RNA)
where:
Base-Base interactions energy: -44.299
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.149
local terms energy: -79.643365
where:
bonds (distance) C4'-P energy: -22.544
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -7.745
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: 9, replica: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -139.885309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.885309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.885309 (E_RNA)
where:
Base-Base interactions energy: -68.747
where: short stacking energy: -48.008
Base-Backbone interact. energy: -0.148
local terms energy: -70.990961
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -5.685
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: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -106.355780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.355780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.355780 (E_RNA)
where:
Base-Base interactions energy: -36.800
where: short stacking energy: -36.800
Base-Backbone interact. energy: -0.261
local terms energy: -69.294908
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -21.550
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -317.418409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.418409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.418409 (E_RNA)
where:
Base-Base interactions energy: -198.231
where: short stacking energy: -98.692
Base-Backbone interact. energy: -0.538
local terms energy: -118.649189
where:
bonds (distance) C4'-P energy: -23.015
bonds (distance) P-C4' energy: -24.214
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -29.759
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: 418
Temperature: 0.950000
Total energy: -291.087009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.087009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.087009 (E_RNA)
where:
Base-Base interactions energy: -179.097
where: short stacking energy: -104.697
Base-Backbone interact. energy: -0.024
local terms energy: -111.965970
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -27.007
flat angles C4'-P-C4' energy: -26.317
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -29.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -311.207146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.207146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.207146 (E_RNA)
where:
Base-Base interactions energy: -201.961
where: short stacking energy: -105.024
Base-Backbone interact. energy: -0.248
local terms energy: -108.998442
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -22.174
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: -29.606
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: 418
Temperature: 1.050000
Total energy: -274.315296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.315296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.315296 (E_RNA)
where:
Base-Base interactions energy: -177.445
where: short stacking energy: -93.676
Base-Backbone interact. energy: -0.044
local terms energy: -96.826468
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -17.170
tors. eta vs tors. theta energy: -24.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -249.600073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.600073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.600073 (E_RNA)
where:
Base-Base interactions energy: -159.954
where: short stacking energy: -85.052
Base-Backbone interact. energy: -0.009
local terms energy: -89.637136
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -8.602
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: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -224.492819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.492819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.492819 (E_RNA)
where:
Base-Base interactions energy: -131.691
where: short stacking energy: -76.418
Base-Backbone interact. energy: -0.243
local terms energy: -92.558716
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -149.146631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.146631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.146631 (E_RNA)
where:
Base-Base interactions energy: -64.838
where: short stacking energy: -41.204
Base-Backbone interact. energy: -0.259
local terms energy: -84.050092
where:
bonds (distance) C4'-P energy: -23.833
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -23.429
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -127.512551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.512551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.512551 (E_RNA)
where:
Base-Base interactions energy: -48.790
where: short stacking energy: -46.566
Base-Backbone interact. energy: -0.376
local terms energy: -78.346074
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -7.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -144.914518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.914518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.914518 (E_RNA)
where:
Base-Base interactions energy: -66.514
where: short stacking energy: -41.856
Base-Backbone interact. energy: -0.795
local terms energy: -77.605176
where:
bonds (distance) C4'-P energy: -24.844
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -96.646925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.646925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.646925 (E_RNA)
where:
Base-Base interactions energy: -32.901
where: short stacking energy: -24.699
Base-Backbone interact. energy: -0.343
local terms energy: -63.403623
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: 5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -315.888535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.888535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.888535 (E_RNA)
where:
Base-Base interactions energy: -197.839
where: short stacking energy: -97.993
Base-Backbone interact. energy: -0.185
local terms energy: -117.864605
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -26.876
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -29.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -273.327719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.327719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.327719 (E_RNA)
where:
Base-Base interactions energy: -166.233
where: short stacking energy: -90.533
Base-Backbone interact. energy: -0.128
local terms energy: -106.966941
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -25.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -282.806180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.806180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.806180 (E_RNA)
where:
Base-Base interactions energy: -177.914
where: short stacking energy: -98.473
Base-Backbone interact. energy: -0.037
local terms energy: -104.855632
where:
bonds (distance) C4'-P energy: -25.124
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -29.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -260.078028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.078028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.078028 (E_RNA)
where:
Base-Base interactions energy: -157.139
where: short stacking energy: -71.558
Base-Backbone interact. energy: -0.431
local terms energy: -102.508222
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -22.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -233.238278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.238278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.238278 (E_RNA)
where:
Base-Base interactions energy: -142.940
where: short stacking energy: -73.783
Base-Backbone interact. energy: -0.279
local terms energy: -90.019384
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -16.067
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: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -230.285611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.285611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.285611 (E_RNA)
where:
Base-Base interactions energy: -136.817
where: short stacking energy: -80.986
Base-Backbone interact. energy: -0.012
local terms energy: -93.457029
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -178.983838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.983838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.983838 (E_RNA)
where:
Base-Base interactions energy: -96.681
where: short stacking energy: -63.159
Base-Backbone interact. energy: -0.128
local terms energy: -82.175250
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -22.912
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -143.516932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.516932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.516932 (E_RNA)
where:
Base-Base interactions energy: -73.301
where: short stacking energy: -43.154
Base-Backbone interact. energy: 1.279
local terms energy: -71.494984
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -106.841572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.841572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.841572 (E_RNA)
where:
Base-Base interactions energy: -42.367
where: short stacking energy: -33.455
Base-Backbone interact. energy: -0.762
local terms energy: -63.712172
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -91.828872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.828872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.828872 (E_RNA)
where:
Base-Base interactions energy: -25.286
where: short stacking energy: -23.222
Base-Backbone interact. energy: -0.735
local terms energy: -65.807628
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: 3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -322.509104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.509104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.509104 (E_RNA)
where:
Base-Base interactions energy: -207.708
where: short stacking energy: -110.168
Base-Backbone interact. energy: 0.178
local terms energy: -114.979295
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -23.398
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -30.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -294.046743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.046743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.046743 (E_RNA)
where:
Base-Base interactions energy: -182.018
where: short stacking energy: -111.246
Base-Backbone interact. energy: -0.313
local terms energy: -111.715374
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -33.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -271.626325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.626325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.626325 (E_RNA)
where:
Base-Base interactions energy: -172.921
where: short stacking energy: -95.868
Base-Backbone interact. energy: -0.025
local terms energy: -98.680388
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -24.495
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -26.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -251.829003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.829003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.829003 (E_RNA)
where:
Base-Base interactions energy: -152.773
where: short stacking energy: -78.101
Base-Backbone interact. energy: -1.663
local terms energy: -97.393035
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -25.477
flat angles P-C4'-P energy: -14.436
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: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -223.306631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.306631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.306631 (E_RNA)
where:
Base-Base interactions energy: -127.855
where: short stacking energy: -81.519
Base-Backbone interact. energy: -0.243
local terms energy: -95.208835
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -22.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -223.997956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.997956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.997956 (E_RNA)
where:
Base-Base interactions energy: -132.945
where: short stacking energy: -65.981
Base-Backbone interact. energy: -0.289
local terms energy: -90.764101
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -12.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -173.289571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.289571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.289571 (E_RNA)
where:
Base-Base interactions energy: -91.531
where: short stacking energy: -58.392
Base-Backbone interact. energy: -0.129
local terms energy: -81.629328
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -22.879
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -7.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -147.580297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.580297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.580297 (E_RNA)
where:
Base-Base interactions energy: -73.206
where: short stacking energy: -40.534
Base-Backbone interact. energy: -1.183
local terms energy: -73.190904
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -121.577028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.577028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.577028 (E_RNA)
where:
Base-Base interactions energy: -38.005
where: short stacking energy: -39.204
Base-Backbone interact. energy: -1.070
local terms energy: -82.501870
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -16.133
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: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -111.522616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.522616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.522616 (E_RNA)
where:
Base-Base interactions energy: -39.212
where: short stacking energy: -38.607
Base-Backbone interact. energy: -0.181
local terms energy: -72.129867
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -322.647417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.647417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.647417 (E_RNA)
where:
Base-Base interactions energy: -204.789
where: short stacking energy: -98.033
Base-Backbone interact. energy: -1.693
local terms energy: -116.165528
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: -31.820
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: 421
Temperature: 0.950000
Total energy: -282.041220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.041220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.041220 (E_RNA)
where:
Base-Base interactions energy: -172.666
where: short stacking energy: -100.431
Base-Backbone interact. energy: -0.084
local terms energy: -109.291439
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -24.530
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -18.223
tors. eta vs tors. theta energy: -24.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -294.069059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.069059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.069059 (E_RNA)
where:
Base-Base interactions energy: -185.465
where: short stacking energy: -103.893
Base-Backbone interact. energy: -0.076
local terms energy: -108.528422
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -29.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -283.050851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.050851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.050851 (E_RNA)
where:
Base-Base interactions energy: -178.315
where: short stacking energy: -94.643
Base-Backbone interact. energy: -0.143
local terms energy: -104.593367
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -32.021
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: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -231.718500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.718500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.718500 (E_RNA)
where:
Base-Base interactions energy: -140.531
where: short stacking energy: -77.518
Base-Backbone interact. energy: -0.090
local terms energy: -91.097306
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -172.315470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.315470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.315470 (E_RNA)
where:
Base-Base interactions energy: -88.244
where: short stacking energy: -56.314
Base-Backbone interact. energy: 1.595
local terms energy: -85.666803
where:
bonds (distance) C4'-P energy: -24.740
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -12.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -206.154922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.154922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.154922 (E_RNA)
where:
Base-Base interactions energy: -134.598
where: short stacking energy: -69.909
Base-Backbone interact. energy: -0.340
local terms energy: -71.216513
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -10.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -120.628402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.628402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.628402 (E_RNA)
where:
Base-Base interactions energy: -58.220
where: short stacking energy: -34.489
Base-Backbone interact. energy: 1.506
local terms energy: -63.915129
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: 3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -115.455449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.455449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.455449 (E_RNA)
where:
Base-Base interactions energy: -45.847
where: short stacking energy: -40.168
Base-Backbone interact. energy: -0.344
local terms energy: -69.264429
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -103.250580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.250580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.250580 (E_RNA)
where:
Base-Base interactions energy: -39.803
where: short stacking energy: -28.164
Base-Backbone interact. energy: -0.186
local terms energy: -63.261802
where:
bonds (distance) C4'-P energy: -23.396
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: 2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -333.817180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.817180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.817180 (E_RNA)
where:
Base-Base interactions energy: -212.556
where: short stacking energy: -110.998
Base-Backbone interact. energy: 0.416
local terms energy: -121.677672
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: -35.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -306.333161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.333161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.333161 (E_RNA)
where:
Base-Base interactions energy: -184.848
where: short stacking energy: -107.512
Base-Backbone interact. energy: -0.768
local terms energy: -120.716824
where:
bonds (distance) C4'-P energy: -23.976
bonds (distance) P-C4' energy: -25.329
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -34.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -281.065553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.065553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.065553 (E_RNA)
where:
Base-Base interactions energy: -174.809
where: short stacking energy: -97.010
Base-Backbone interact. energy: -0.067
local terms energy: -106.189823
where:
bonds (distance) C4'-P energy: -21.950
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -16.682
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: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -276.087420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.087420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.087420 (E_RNA)
where:
Base-Base interactions energy: -172.475
where: short stacking energy: -103.327
Base-Backbone interact. energy: -0.773
local terms energy: -102.839472
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -28.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -241.922734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.922734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.922734 (E_RNA)
where:
Base-Base interactions energy: -144.232
where: short stacking energy: -81.415
Base-Backbone interact. energy: -0.180
local terms energy: -97.510672
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -11.344
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: 6, replica: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -184.997949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.997949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.997949 (E_RNA)
where:
Base-Base interactions energy: -107.948
where: short stacking energy: -65.388
Base-Backbone interact. energy: -0.352
local terms energy: -76.698320
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -9.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -115.429982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.429982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.429982 (E_RNA)
where:
Base-Base interactions energy: -41.952
where: short stacking energy: -41.952
Base-Backbone interact. energy: -0.182
local terms energy: -73.295587
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -9.848
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: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -225.741178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.741178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.741178 (E_RNA)
where:
Base-Base interactions energy: -143.224
where: short stacking energy: -70.053
Base-Backbone interact. energy: -0.047
local terms energy: -82.470234
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -23.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -106.800377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.800377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.800377 (E_RNA)
where:
Base-Base interactions energy: -32.500
where: short stacking energy: -27.193
Base-Backbone interact. energy: -0.276
local terms energy: -74.025030
where:
bonds (distance) C4'-P energy: -21.908
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -99.461264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.461264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.461264 (E_RNA)
where:
Base-Base interactions energy: -31.860
where: short stacking energy: -28.684
Base-Backbone interact. energy: -0.624
local terms energy: -66.977641
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: 3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -328.269831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.269831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.269831 (E_RNA)
where:
Base-Base interactions energy: -204.006
where: short stacking energy: -113.723
Base-Backbone interact. energy: 0.119
local terms energy: -124.382642
where:
bonds (distance) C4'-P energy: -24.235
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -33.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -294.643357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.643357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.643357 (E_RNA)
where:
Base-Base interactions energy: -185.523
where: short stacking energy: -100.760
Base-Backbone interact. energy: -0.173
local terms energy: -108.947580
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -19.380
tors. eta vs tors. theta energy: -26.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -279.508461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.508461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.508461 (E_RNA)
where:
Base-Base interactions energy: -170.774
where: short stacking energy: -95.003
Base-Backbone interact. energy: -0.063
local terms energy: -108.671991
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -24.124
flat angles P-C4'-P energy: -20.573
tors. eta vs tors. theta energy: -24.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -284.031559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.031559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.031559 (E_RNA)
where:
Base-Base interactions energy: -170.493
where: short stacking energy: -97.583
Base-Backbone interact. energy: -0.669
local terms energy: -112.870213
where:
bonds (distance) C4'-P energy: -25.205
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -30.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -221.013784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.013784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.013784 (E_RNA)
where:
Base-Base interactions energy: -123.058
where: short stacking energy: -70.411
Base-Backbone interact. energy: -0.140
local terms energy: -97.815081
where:
bonds (distance) C4'-P energy: -22.716
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -22.244
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: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -209.926940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.926940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.926940 (E_RNA)
where:
Base-Base interactions energy: -121.929
where: short stacking energy: -74.920
Base-Backbone interact. energy: 0.187
local terms energy: -88.185071
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -17.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -126.899630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.899630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.899630 (E_RNA)
where:
Base-Base interactions energy: -56.191
where: short stacking energy: -37.011
Base-Backbone interact. energy: -0.577
local terms energy: -70.131907
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -0.443
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: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -226.546386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.546386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.546386 (E_RNA)
where:
Base-Base interactions energy: -130.065
where: short stacking energy: -67.432
Base-Backbone interact. energy: -0.316
local terms energy: -96.165221
where:
bonds (distance) C4'-P energy: -22.699
bonds (distance) P-C4' energy: -25.199
flat angles C4'-P-C4' energy: -22.290
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -102.931790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.931790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.931790 (E_RNA)
where:
Base-Base interactions energy: -32.783
where: short stacking energy: -32.324
Base-Backbone interact. energy: 0.548
local terms energy: -70.697540
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -96.081402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.081402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.081402 (E_RNA)
where:
Base-Base interactions energy: -41.299
where: short stacking energy: -29.940
Base-Backbone interact. energy: 2.921
local terms energy: -57.703900
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -8.123
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: 4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -307.221683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.221683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.221683 (E_RNA)
where:
Base-Base interactions energy: -192.309
where: short stacking energy: -115.500
Base-Backbone interact. energy: -0.001
local terms energy: -114.911782
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -32.376
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: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -318.975963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.975963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.975963 (E_RNA)
where:
Base-Base interactions energy: -202.216
where: short stacking energy: -102.344
Base-Backbone interact. energy: -0.080
local terms energy: -116.680101
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -34.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -265.961341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.961341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.961341 (E_RNA)
where:
Base-Base interactions energy: -162.066
where: short stacking energy: -84.807
Base-Backbone interact. energy: -0.152
local terms energy: -103.743585
where:
bonds (distance) C4'-P energy: -23.541
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -277.965475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.965475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.965475 (E_RNA)
where:
Base-Base interactions energy: -165.834
where: short stacking energy: -89.014
Base-Backbone interact. energy: -0.178
local terms energy: -111.953442
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -21.585
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -26.724
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: 5, replica: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -217.902188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.902188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.902188 (E_RNA)
where:
Base-Base interactions energy: -125.003
where: short stacking energy: -67.509
Base-Backbone interact. energy: -0.010
local terms energy: -92.889548
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -17.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -231.179038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.179038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.179038 (E_RNA)
where:
Base-Base interactions energy: -128.808
where: short stacking energy: -74.004
Base-Backbone interact. energy: -0.002
local terms energy: -102.368756
where:
bonds (distance) C4'-P energy: -24.148
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -19.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -231.260028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.260028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.260028 (E_RNA)
where:
Base-Base interactions energy: -142.353
where: short stacking energy: -76.088
Base-Backbone interact. energy: -0.323
local terms energy: -88.583627
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -137.957508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.957508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.957508 (E_RNA)
where:
Base-Base interactions energy: -69.824
where: short stacking energy: -41.191
Base-Backbone interact. energy: -0.098
local terms energy: -68.035837
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -3.974
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -111.322743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.322743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.322743 (E_RNA)
where:
Base-Base interactions energy: -39.597
where: short stacking energy: -38.487
Base-Backbone interact. energy: -0.213
local terms energy: -71.512031
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -19.359
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -7.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -106.548023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.548023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.548023 (E_RNA)
where:
Base-Base interactions energy: -33.121
where: short stacking energy: -32.500
Base-Backbone interact. energy: 0.653
local terms energy: -74.080149
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -22.499
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -11.923
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: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -291.178044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.178044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.178044 (E_RNA)
where:
Base-Base interactions energy: -183.945
where: short stacking energy: -109.654
Base-Backbone interact. energy: -0.050
local terms energy: -107.183126
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -25.138
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -29.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -316.911357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.911357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.911357 (E_RNA)
where:
Base-Base interactions energy: -201.060
where: short stacking energy: -96.699
Base-Backbone interact. energy: -0.033
local terms energy: -115.818797
where:
bonds (distance) C4'-P energy: -23.135
bonds (distance) P-C4' energy: -23.995
flat angles C4'-P-C4' energy: -22.864
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -31.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -267.512780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.512780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.512780 (E_RNA)
where:
Base-Base interactions energy: -165.776
where: short stacking energy: -82.152
Base-Backbone interact. energy: -0.105
local terms energy: -101.630969
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -23.093
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -265.208397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.208397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.208397 (E_RNA)
where:
Base-Base interactions energy: -160.649
where: short stacking energy: -97.161
Base-Backbone interact. energy: -0.055
local terms energy: -104.504847
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -24.103
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -31.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -234.079149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.079149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.079149 (E_RNA)
where:
Base-Base interactions energy: -137.609
where: short stacking energy: -73.949
Base-Backbone interact. energy: -0.224
local terms energy: -96.246421
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -238.736323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.736323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.736323 (E_RNA)
where:
Base-Base interactions energy: -139.293
where: short stacking energy: -78.932
Base-Backbone interact. energy: -0.231
local terms energy: -99.211662
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -22.939
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -18.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -213.506047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.506047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.506047 (E_RNA)
where:
Base-Base interactions energy: -120.863
where: short stacking energy: -61.265
Base-Backbone interact. energy: -0.212
local terms energy: -92.431631
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -122.156058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.156058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.156058 (E_RNA)
where:
Base-Base interactions energy: -48.593
where: short stacking energy: -36.794
Base-Backbone interact. energy: 0.191
local terms energy: -73.753704
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -22.959
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -109.072119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.072119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.072119 (E_RNA)
where:
Base-Base interactions energy: -40.273
where: short stacking energy: -36.865
Base-Backbone interact. energy: -0.189
local terms energy: -68.610522
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -25.215
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -107.664277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.664277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.664277 (E_RNA)
where:
Base-Base interactions energy: -39.364
where: short stacking energy: -34.301
Base-Backbone interact. energy: -0.138
local terms energy: -68.162929
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -9.777
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: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -320.053579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.053579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.053579 (E_RNA)
where:
Base-Base interactions energy: -201.122
where: short stacking energy: -112.848
Base-Backbone interact. energy: 0.233
local terms energy: -119.164181
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -25.338
flat angles C4'-P-C4' energy: -25.944
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -34.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -287.496053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.496053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.496053 (E_RNA)
where:
Base-Base interactions energy: -179.930
where: short stacking energy: -101.858
Base-Backbone interact. energy: -0.114
local terms energy: -107.452240
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -27.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -271.311244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.311244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.311244 (E_RNA)
where:
Base-Base interactions energy: -165.888
where: short stacking energy: -88.656
Base-Backbone interact. energy: -0.160
local terms energy: -105.263156
where:
bonds (distance) C4'-P energy: -23.111
bonds (distance) P-C4' energy: -25.107
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -24.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -252.695461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.695461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.695461 (E_RNA)
where:
Base-Base interactions energy: -155.717
where: short stacking energy: -83.431
Base-Backbone interact. energy: -0.094
local terms energy: -96.884429
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -24.060
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -18.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -240.420355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.420355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.420355 (E_RNA)
where:
Base-Base interactions energy: -143.339
where: short stacking energy: -66.473
Base-Backbone interact. energy: 0.074
local terms energy: -97.154843
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -211.311642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.311642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.311642 (E_RNA)
where:
Base-Base interactions energy: -130.145
where: short stacking energy: -59.275
Base-Backbone interact. energy: -0.519
local terms energy: -80.648159
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -19.110
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -204.762463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.762463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.762463 (E_RNA)
where:
Base-Base interactions energy: -113.591
where: short stacking energy: -64.991
Base-Backbone interact. energy: -0.313
local terms energy: -90.857630
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -17.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -118.200629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.200629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.200629 (E_RNA)
where:
Base-Base interactions energy: -58.519
where: short stacking energy: -44.762
Base-Backbone interact. energy: -0.364
local terms energy: -59.317687
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -116.641214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.641214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.641214 (E_RNA)
where:
Base-Base interactions energy: -45.033
where: short stacking energy: -45.033
Base-Backbone interact. energy: -0.142
local terms energy: -71.466212
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -3.689
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: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -104.320653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.320653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.320653 (E_RNA)
where:
Base-Base interactions energy: -31.039
where: short stacking energy: -27.227
Base-Backbone interact. energy: -0.392
local terms energy: -72.889721
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -8.163
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: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -320.773324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.773324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.773324 (E_RNA)
where:
Base-Base interactions energy: -202.044
where: short stacking energy: -98.445
Base-Backbone interact. energy: 0.177
local terms energy: -118.906862
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -27.355
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -33.454
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: 427
Temperature: 0.950000
Total energy: -297.553731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.553731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.553731 (E_RNA)
where:
Base-Base interactions energy: -184.760
where: short stacking energy: -111.532
Base-Backbone interact. energy: -0.246
local terms energy: -112.548199
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -18.796
tors. eta vs tors. theta energy: -34.215
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: 427
Temperature: 1.000000
Total energy: -268.324302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.324302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.324302 (E_RNA)
where:
Base-Base interactions energy: -169.316
where: short stacking energy: -90.637
Base-Backbone interact. energy: -0.191
local terms energy: -98.816953
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -13.981
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: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -252.071959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.071959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.071959 (E_RNA)
where:
Base-Base interactions energy: -155.864
where: short stacking energy: -66.856
Base-Backbone interact. energy: -1.316
local terms energy: -94.891867
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -251.144302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.144302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.144302 (E_RNA)
where:
Base-Base interactions energy: -159.216
where: short stacking energy: -77.731
Base-Backbone interact. energy: -0.017
local terms energy: -91.911709
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -12.268
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: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -221.979468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.979468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.979468 (E_RNA)
where:
Base-Base interactions energy: -123.647
where: short stacking energy: -73.094
Base-Backbone interact. energy: -0.132
local terms energy: -98.200081
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -22.025
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: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -200.131055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.131055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.131055 (E_RNA)
where:
Base-Base interactions energy: -112.436
where: short stacking energy: -65.270
Base-Backbone interact. energy: -0.542
local terms energy: -87.153122
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -117.467146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.467146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.467146 (E_RNA)
where:
Base-Base interactions energy: -40.866
where: short stacking energy: -40.866
Base-Backbone interact. energy: -0.030
local terms energy: -76.570877
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -103.283013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.283013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.283013 (E_RNA)
where:
Base-Base interactions energy: -38.230
where: short stacking energy: -34.995
Base-Backbone interact. energy: 1.194
local terms energy: -66.247033
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: 1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -103.656149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.656149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.656149 (E_RNA)
where:
Base-Base interactions energy: -36.712
where: short stacking energy: -35.825
Base-Backbone interact. energy: -0.320
local terms energy: -66.624477
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: 1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -308.436451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.436451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.436451 (E_RNA)
where:
Base-Base interactions energy: -190.124
where: short stacking energy: -112.593
Base-Backbone interact. energy: -0.033
local terms energy: -118.278923
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -34.518
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: 428
Temperature: 0.950000
Total energy: -314.671944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.671944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.671944 (E_RNA)
where:
Base-Base interactions energy: -194.883
where: short stacking energy: -94.477
Base-Backbone interact. energy: -0.136
local terms energy: -119.652498
where:
bonds (distance) C4'-P energy: -24.836
bonds (distance) P-C4' energy: -26.343
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -29.602
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: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -274.046825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.046825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.046825 (E_RNA)
where:
Base-Base interactions energy: -172.690
where: short stacking energy: -95.616
Base-Backbone interact. energy: -0.038
local terms energy: -101.318332
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -29.173
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: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -254.060556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.060556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.060556 (E_RNA)
where:
Base-Base interactions energy: -147.238
where: short stacking energy: -84.418
Base-Backbone interact. energy: -0.114
local terms energy: -106.708211
where:
bonds (distance) C4'-P energy: -24.017
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -17.361
tors. eta vs tors. theta energy: -23.778
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: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -228.807697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.807697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.807697 (E_RNA)
where:
Base-Base interactions energy: -130.419
where: short stacking energy: -66.980
Base-Backbone interact. energy: -0.028
local terms energy: -98.361302
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -26.427
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -15.821
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: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -232.873124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.873124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.873124 (E_RNA)
where:
Base-Base interactions energy: -135.536
where: short stacking energy: -79.556
Base-Backbone interact. energy: -0.044
local terms energy: -97.293243
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -23.563
flat angles C4'-P-C4' energy: -24.031
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -21.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -204.215340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.215340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.215340 (E_RNA)
where:
Base-Base interactions energy: -116.422
where: short stacking energy: -65.930
Base-Backbone interact. energy: 0.172
local terms energy: -87.964882
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -110.602204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.602204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.602204 (E_RNA)
where:
Base-Base interactions energy: -42.707
where: short stacking energy: -36.184
Base-Backbone interact. energy: -0.784
local terms energy: -67.111002
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: 0.124
tors. eta vs tors. theta energy: -0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -103.639666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.639666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.639666 (E_RNA)
where:
Base-Base interactions energy: -46.004
where: short stacking energy: -37.418
Base-Backbone interact. energy: 2.918
local terms energy: -60.552932
where:
bonds (distance) C4'-P energy: -24.422
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: 3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -97.189054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.189054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.189054 (E_RNA)
where:
Base-Base interactions energy: -31.596
where: short stacking energy: -32.296
Base-Backbone interact. energy: 1.152
local terms energy: -66.745198
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: 1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -310.452478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.452478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.452478 (E_RNA)
where:
Base-Base interactions energy: -191.771
where: short stacking energy: -113.366
Base-Backbone interact. energy: -0.011
local terms energy: -118.671300
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -25.216
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -34.245
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: 429
Temperature: 0.950000
Total energy: -311.317035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.317035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.317035 (E_RNA)
where:
Base-Base interactions energy: -201.985
where: short stacking energy: -98.971
Base-Backbone interact. energy: -0.301
local terms energy: -109.030926
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -25.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -268.717072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.717072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.717072 (E_RNA)
where:
Base-Base interactions energy: -159.436
where: short stacking energy: -83.921
Base-Backbone interact. energy: -0.036
local terms energy: -109.245066
where:
bonds (distance) C4'-P energy: -24.613
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -19.697
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: 4, replica: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -243.179621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.179621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.179621 (E_RNA)
where:
Base-Base interactions energy: -144.015
where: short stacking energy: -86.355
Base-Backbone interact. energy: -0.023
local terms energy: -99.141847
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -19.274
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: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -234.849993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.849993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.849993 (E_RNA)
where:
Base-Base interactions energy: -139.396
where: short stacking energy: -68.822
Base-Backbone interact. energy: 0.354
local terms energy: -95.808687
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: -19.972
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: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -241.110797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.110797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.110797 (E_RNA)
where:
Base-Base interactions energy: -140.620
where: short stacking energy: -69.095
Base-Backbone interact. energy: 0.727
local terms energy: -101.217724
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -24.411
flat angles P-C4'-P energy: -18.993
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: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -185.108099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.108099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.108099 (E_RNA)
where:
Base-Base interactions energy: -97.720
where: short stacking energy: -60.984
Base-Backbone interact. energy: 0.019
local terms energy: -87.407329
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -16.281
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: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -119.159837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.159837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.159837 (E_RNA)
where:
Base-Base interactions energy: -50.015
where: short stacking energy: -50.015
Base-Backbone interact. energy: -0.286
local terms energy: -68.858336
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -0.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -115.528963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.528963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.528963 (E_RNA)
where:
Base-Base interactions energy: -47.153
where: short stacking energy: -40.742
Base-Backbone interact. energy: -0.212
local terms energy: -68.164443
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -23.397
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -0.757
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: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -113.387415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.387415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.387415 (E_RNA)
where:
Base-Base interactions energy: -34.428
where: short stacking energy: -33.619
Base-Backbone interact. energy: -0.511
local terms energy: -78.448020
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -9.449
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: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -313.950388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.950388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.950388 (E_RNA)
where:
Base-Base interactions energy: -206.743
where: short stacking energy: -107.730
Base-Backbone interact. energy: -0.046
local terms energy: -107.161535
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -24.137
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -27.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -283.336250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.336250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.336250 (E_RNA)
where:
Base-Base interactions energy: -166.030
where: short stacking energy: -102.079
Base-Backbone interact. energy: -0.035
local terms energy: -117.271269
where:
bonds (distance) C4'-P energy: -23.296
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -26.444
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -29.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -280.132246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.132246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.132246 (E_RNA)
where:
Base-Base interactions energy: -164.510
where: short stacking energy: -96.270
Base-Backbone interact. energy: -0.158
local terms energy: -115.463756
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -22.410
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -32.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -245.743859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.743859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.743859 (E_RNA)
where:
Base-Base interactions energy: -144.009
where: short stacking energy: -84.540
Base-Backbone interact. energy: -0.038
local terms energy: -101.696645
where:
bonds (distance) C4'-P energy: -23.487
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -24.309
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: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -244.913249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.913249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.913249 (E_RNA)
where:
Base-Base interactions energy: -143.496
where: short stacking energy: -80.024
Base-Backbone interact. energy: -0.100
local terms energy: -101.316347
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -25.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -223.704255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.704255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.704255 (E_RNA)
where:
Base-Base interactions energy: -134.991
where: short stacking energy: -58.949
Base-Backbone interact. energy: -0.858
local terms energy: -87.855664
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -162.933360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.933360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.933360 (E_RNA)
where:
Base-Base interactions energy: -86.559
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.259
local terms energy: -76.115747
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -20.600
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -9.395
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: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -111.022157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.022157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.022157 (E_RNA)
where:
Base-Base interactions energy: -38.063
where: short stacking energy: -35.944
Base-Backbone interact. energy: 1.398
local terms energy: -74.356741
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -109.690728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.690728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.690728 (E_RNA)
where:
Base-Base interactions energy: -41.185
where: short stacking energy: -42.185
Base-Backbone interact. energy: -0.326
local terms energy: -68.179315
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -104.859437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.859437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.859437 (E_RNA)
where:
Base-Base interactions energy: -43.671
where: short stacking energy: -43.671
Base-Backbone interact. energy: 0.260
local terms energy: -61.449356
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -317.224939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.224939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.224939 (E_RNA)
where:
Base-Base interactions energy: -203.547
where: short stacking energy: -104.152
Base-Backbone interact. energy: -0.031
local terms energy: -113.646468
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -29.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -297.143562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.143562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.143562 (E_RNA)
where:
Base-Base interactions energy: -182.135
where: short stacking energy: -106.416
Base-Backbone interact. energy: 0.149
local terms energy: -115.157499
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -25.248
flat angles C4'-P-C4' energy: -22.282
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -31.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -279.834881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.834881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.834881 (E_RNA)
where:
Base-Base interactions energy: -172.971
where: short stacking energy: -90.994
Base-Backbone interact. energy: -0.006
local terms energy: -106.857718
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: -21.431
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: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -259.423506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.423506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.423506 (E_RNA)
where:
Base-Base interactions energy: -157.486
where: short stacking energy: -80.688
Base-Backbone interact. energy: -0.011
local terms energy: -101.926595
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -23.044
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -25.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -233.962402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.962402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.962402 (E_RNA)
where:
Base-Base interactions energy: -141.196
where: short stacking energy: -92.908
Base-Backbone interact. energy: 0.786
local terms energy: -93.552360
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -20.251
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -10.844
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: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -234.408502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.408502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.408502 (E_RNA)
where:
Base-Base interactions energy: -133.579
where: short stacking energy: -68.455
Base-Backbone interact. energy: -0.194
local terms energy: -100.634870
where:
bonds (distance) C4'-P energy: -24.703
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -16.784
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -198.725360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.725360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.725360 (E_RNA)
where:
Base-Base interactions energy: -115.450
where: short stacking energy: -62.528
Base-Backbone interact. energy: -0.981
local terms energy: -82.294454
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -112.596694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.596694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.596694 (E_RNA)
where:
Base-Base interactions energy: -47.723
where: short stacking energy: -45.338
Base-Backbone interact. energy: -0.926
local terms energy: -63.948137
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -3.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -116.420744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.420744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.420744 (E_RNA)
where:
Base-Base interactions energy: -41.160
where: short stacking energy: -35.069
Base-Backbone interact. energy: -0.302
local terms energy: -74.959360
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -6.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -104.488007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.488007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.488007 (E_RNA)
where:
Base-Base interactions energy: -32.207
where: short stacking energy: -31.580
Base-Backbone interact. energy: 0.389
local terms energy: -72.670183
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -322.211425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.211425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.211425 (E_RNA)
where:
Base-Base interactions energy: -207.839
where: short stacking energy: -100.773
Base-Backbone interact. energy: -0.088
local terms energy: -114.284608
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -20.971
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -31.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -279.365261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.365261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.365261 (E_RNA)
where:
Base-Base interactions energy: -159.400
where: short stacking energy: -83.625
Base-Backbone interact. energy: -0.542
local terms energy: -119.422943
where:
bonds (distance) C4'-P energy: -24.703
bonds (distance) P-C4' energy: -25.475
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -22.268
tors. eta vs tors. theta energy: -24.846
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: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -277.896174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.896174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.896174 (E_RNA)
where:
Base-Base interactions energy: -166.367
where: short stacking energy: -88.192
Base-Backbone interact. energy: -0.068
local terms energy: -111.460658
where:
bonds (distance) C4'-P energy: -24.088
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -28.042
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: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -272.730958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.730958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.730958 (E_RNA)
where:
Base-Base interactions energy: -167.199
where: short stacking energy: -79.714
Base-Backbone interact. energy: 0.153
local terms energy: -105.684823
where:
bonds (distance) C4'-P energy: -23.088
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -236.629390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.629390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.629390 (E_RNA)
where:
Base-Base interactions energy: -139.821
where: short stacking energy: -72.867
Base-Backbone interact. energy: -0.069
local terms energy: -96.739273
where:
bonds (distance) C4'-P energy: -22.265
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -202.855597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.855597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.855597 (E_RNA)
where:
Base-Base interactions energy: -112.788
where: short stacking energy: -57.932
Base-Backbone interact. energy: -0.896
local terms energy: -89.171702
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -23.018
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -12.986
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: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -208.175720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.175720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.175720 (E_RNA)
where:
Base-Base interactions energy: -120.469
where: short stacking energy: -68.561
Base-Backbone interact. energy: -0.106
local terms energy: -87.600873
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -117.058739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.058739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.058739 (E_RNA)
where:
Base-Base interactions energy: -47.323
where: short stacking energy: -35.905
Base-Backbone interact. energy: -0.144
local terms energy: -69.591545
where:
bonds (distance) C4'-P energy: -24.286
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: 2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -113.349403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.349403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.349403 (E_RNA)
where:
Base-Base interactions energy: -37.443
where: short stacking energy: -37.443
Base-Backbone interact. energy: 0.183
local terms energy: -76.089599
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -6.257
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: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -114.324155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.324155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.324155 (E_RNA)
where:
Base-Base interactions energy: -42.405
where: short stacking energy: -42.405
Base-Backbone interact. energy: -0.365
local terms energy: -71.554530
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -8.867
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: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -315.000626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.000626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.000626 (E_RNA)
where:
Base-Base interactions energy: -201.251
where: short stacking energy: -102.666
Base-Backbone interact. energy: -1.134
local terms energy: -112.615104
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -17.180
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: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -289.781052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.781052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.781052 (E_RNA)
where:
Base-Base interactions energy: -185.392
where: short stacking energy: -99.874
Base-Backbone interact. energy: 1.207
local terms energy: -105.596427
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -30.159
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: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -292.947913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.947913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.947913 (E_RNA)
where:
Base-Base interactions energy: -177.370
where: short stacking energy: -95.712
Base-Backbone interact. energy: -1.785
local terms energy: -113.793005
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -23.880
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -31.083
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: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -264.155550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.155550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.155550 (E_RNA)
where:
Base-Base interactions energy: -163.132
where: short stacking energy: -93.118
Base-Backbone interact. energy: -0.189
local terms energy: -100.833933
where:
bonds (distance) C4'-P energy: -20.096
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -25.805
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: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -274.064038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.064038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.064038 (E_RNA)
where:
Base-Base interactions energy: -173.480
where: short stacking energy: -106.182
Base-Backbone interact. energy: -0.096
local terms energy: -100.487545
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -34.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -204.567263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.567263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.567263 (E_RNA)
where:
Base-Base interactions energy: -122.871
where: short stacking energy: -69.096
Base-Backbone interact. energy: -0.190
local terms energy: -81.506641
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -206.052972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.052972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.052972 (E_RNA)
where:
Base-Base interactions energy: -123.108
where: short stacking energy: -76.264
Base-Backbone interact. energy: 0.101
local terms energy: -83.046001
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -130.342180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.342180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.342180 (E_RNA)
where:
Base-Base interactions energy: -53.682
where: short stacking energy: -51.766
Base-Backbone interact. energy: -0.589
local terms energy: -76.070850
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -5.914
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: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -107.755223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.755223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.755223 (E_RNA)
where:
Base-Base interactions energy: -38.576
where: short stacking energy: -38.876
Base-Backbone interact. energy: -0.192
local terms energy: -68.987008
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: 0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -119.800065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.800065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.800065 (E_RNA)
where:
Base-Base interactions energy: -42.206
where: short stacking energy: -42.206
Base-Backbone interact. energy: -0.109
local terms energy: -77.484694
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -20.411
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -316.389662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.389662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.389662 (E_RNA)
where:
Base-Base interactions energy: -206.074
where: short stacking energy: -95.155
Base-Backbone interact. energy: 0.397
local terms energy: -110.713132
where:
bonds (distance) C4'-P energy: -26.541
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -23.708
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -28.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -294.127595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.127595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.127595 (E_RNA)
where:
Base-Base interactions energy: -183.284
where: short stacking energy: -103.987
Base-Backbone interact. energy: -0.054
local terms energy: -110.789332
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -24.670
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -29.373
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: 434
Temperature: 1.000000
Total energy: -289.759898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.759898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.759898 (E_RNA)
where:
Base-Base interactions energy: -188.793
where: short stacking energy: -104.404
Base-Backbone interact. energy: -0.635
local terms energy: -100.332224
where:
bonds (distance) C4'-P energy: -20.961
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -24.926
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -29.974
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: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -285.512589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.512589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.512589 (E_RNA)
where:
Base-Base interactions energy: -175.769
where: short stacking energy: -99.048
Base-Backbone interact. energy: -0.045
local terms energy: -109.697649
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -31.471
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: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -247.788551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.788551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.788551 (E_RNA)
where:
Base-Base interactions energy: -155.383
where: short stacking energy: -77.604
Base-Backbone interact. energy: -0.138
local terms energy: -92.266661
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -17.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -232.866142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.866142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.866142 (E_RNA)
where:
Base-Base interactions energy: -142.390
where: short stacking energy: -79.778
Base-Backbone interact. energy: -0.119
local terms energy: -90.357463
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -25.935
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -221.510806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.510806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.510806 (E_RNA)
where:
Base-Base interactions energy: -138.958
where: short stacking energy: -69.886
Base-Backbone interact. energy: -0.182
local terms energy: -82.369988
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -125.572737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.572737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.572737 (E_RNA)
where:
Base-Base interactions energy: -58.704
where: short stacking energy: -37.669
Base-Backbone interact. energy: -0.070
local terms energy: -66.799250
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -111.756995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.756995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.756995 (E_RNA)
where:
Base-Base interactions energy: -43.502
where: short stacking energy: -43.502
Base-Backbone interact. energy: -0.193
local terms energy: -68.061618
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -7.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -119.883828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.883828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.883828 (E_RNA)
where:
Base-Base interactions energy: -45.462
where: short stacking energy: -39.189
Base-Backbone interact. energy: -0.010
local terms energy: -74.412326
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -7.879
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: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -317.816901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.816901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.816901 (E_RNA)
where:
Base-Base interactions energy: -202.124
where: short stacking energy: -97.092
Base-Backbone interact. energy: -0.179
local terms energy: -115.513349
where:
bonds (distance) C4'-P energy: -23.594
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -18.085
tors. eta vs tors. theta energy: -28.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -284.127425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.127425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.127425 (E_RNA)
where:
Base-Base interactions energy: -179.844
where: short stacking energy: -98.844
Base-Backbone interact. energy: -0.613
local terms energy: -103.670026
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -24.615
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -22.181
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: 435
Temperature: 1.000000
Total energy: -282.511657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.511657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.511657 (E_RNA)
where:
Base-Base interactions energy: -169.396
where: short stacking energy: -96.507
Base-Backbone interact. energy: -0.006
local terms energy: -113.109322
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -25.608
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -31.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -269.168988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.168988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.168988 (E_RNA)
where:
Base-Base interactions energy: -166.001
where: short stacking energy: -85.421
Base-Backbone interact. energy: -0.136
local terms energy: -103.031773
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -23.047
flat angles P-C4'-P energy: -14.483
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: 5, replica: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -257.255064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.255064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.255064 (E_RNA)
where:
Base-Base interactions energy: -164.195
where: short stacking energy: -77.740
Base-Backbone interact. energy: -0.320
local terms energy: -92.739451
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -18.572
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: 6, replica: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -255.705217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.705217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.705217 (E_RNA)
where:
Base-Base interactions energy: -165.977
where: short stacking energy: -89.074
Base-Backbone interact. energy: 0.159
local terms energy: -89.886846
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -18.917
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -218.816083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.816083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.816083 (E_RNA)
where:
Base-Base interactions energy: -136.367
where: short stacking energy: -63.451
Base-Backbone interact. energy: -0.372
local terms energy: -82.076673
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -143.554537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.554537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.554537 (E_RNA)
where:
Base-Base interactions energy: -59.241
where: short stacking energy: -55.191
Base-Backbone interact. energy: -0.306
local terms energy: -84.007494
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -15.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -112.727981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.727981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.727981 (E_RNA)
where:
Base-Base interactions energy: -41.143
where: short stacking energy: -31.614
Base-Backbone interact. energy: -0.139
local terms energy: -71.445924
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -8.900
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: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -119.145308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.145308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.145308 (E_RNA)
where:
Base-Base interactions energy: -45.241
where: short stacking energy: -44.867
Base-Backbone interact. energy: -0.246
local terms energy: -73.658037
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -328.421281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.421281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.421281 (E_RNA)
where:
Base-Base interactions energy: -212.052
where: short stacking energy: -110.521
Base-Backbone interact. energy: -0.178
local terms energy: -116.191066
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -27.188
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -33.127
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: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -266.639067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.639067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.639067 (E_RNA)
where:
Base-Base interactions energy: -162.921
where: short stacking energy: -78.792
Base-Backbone interact. energy: -0.425
local terms energy: -103.292958
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -273.434931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.434931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.434931 (E_RNA)
where:
Base-Base interactions energy: -171.774
where: short stacking energy: -90.107
Base-Backbone interact. energy: -0.025
local terms energy: -101.635904
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -22.926
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -26.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -265.246099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.246099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.246099 (E_RNA)
where:
Base-Base interactions energy: -159.200
where: short stacking energy: -89.495
Base-Backbone interact. energy: -0.016
local terms energy: -106.029537
where:
bonds (distance) C4'-P energy: -21.090
bonds (distance) P-C4' energy: -20.174
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -28.506
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: 436
Temperature: 1.100000
Total energy: -281.553962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.553962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.553962 (E_RNA)
where:
Base-Base interactions energy: -167.588
where: short stacking energy: -99.783
Base-Backbone interact. energy: -0.096
local terms energy: -113.870286
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -22.644
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -30.725
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: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -241.239936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.239936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.239936 (E_RNA)
where:
Base-Base interactions energy: -142.675
where: short stacking energy: -64.312
Base-Backbone interact. energy: -0.887
local terms energy: -97.678226
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -24.727
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -17.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -206.187387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.187387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.187387 (E_RNA)
where:
Base-Base interactions energy: -120.855
where: short stacking energy: -68.989
Base-Backbone interact. energy: -0.545
local terms energy: -84.787964
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -120.100922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.100922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.100922 (E_RNA)
where:
Base-Base interactions energy: -49.155
where: short stacking energy: -45.541
Base-Backbone interact. energy: -2.522
local terms energy: -68.423709
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -9.854
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: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -114.824115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.824115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.824115 (E_RNA)
where:
Base-Base interactions energy: -41.252
where: short stacking energy: -26.757
Base-Backbone interact. energy: -0.084
local terms energy: -73.487327
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -97.782614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.782614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.782614 (E_RNA)
where:
Base-Base interactions energy: -27.669
where: short stacking energy: -27.457
Base-Backbone interact. energy: -0.484
local terms energy: -69.629069
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -12.439
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: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -322.776890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.776890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.776890 (E_RNA)
where:
Base-Base interactions energy: -209.610
where: short stacking energy: -112.701
Base-Backbone interact. energy: -0.129
local terms energy: -113.037820
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -29.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -275.953296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.953296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.953296 (E_RNA)
where:
Base-Base interactions energy: -179.781
where: short stacking energy: -89.824
Base-Backbone interact. energy: -0.296
local terms energy: -95.876242
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -22.662
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: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -280.133517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.133517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.133517 (E_RNA)
where:
Base-Base interactions energy: -170.326
where: short stacking energy: -102.465
Base-Backbone interact. energy: -0.067
local terms energy: -109.741234
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -25.353
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -31.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -290.068252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.068252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.068252 (E_RNA)
where:
Base-Base interactions energy: -182.857
where: short stacking energy: -106.117
Base-Backbone interact. energy: -0.251
local terms energy: -106.960097
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -33.922
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: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -269.362557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.362557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.362557 (E_RNA)
where:
Base-Base interactions energy: -166.172
where: short stacking energy: -82.047
Base-Backbone interact. energy: -0.325
local terms energy: -102.865523
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -26.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -205.359509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.359509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.359509 (E_RNA)
where:
Base-Base interactions energy: -125.153
where: short stacking energy: -61.312
Base-Backbone interact. energy: -0.493
local terms energy: -79.712909
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -11.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -213.349003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.349003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.349003 (E_RNA)
where:
Base-Base interactions energy: -130.290
where: short stacking energy: -76.022
Base-Backbone interact. energy: -0.125
local terms energy: -82.934338
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -16.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -124.478296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.478296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.478296 (E_RNA)
where:
Base-Base interactions energy: -52.547
where: short stacking energy: -51.901
Base-Backbone interact. energy: -0.158
local terms energy: -71.772719
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -12.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -109.921272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.921272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.921272 (E_RNA)
where:
Base-Base interactions energy: -37.085
where: short stacking energy: -36.521
Base-Backbone interact. energy: -0.209
local terms energy: -72.627498
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -3.611
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: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -102.377039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.377039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.377039 (E_RNA)
where:
Base-Base interactions energy: -36.676
where: short stacking energy: -34.517
Base-Backbone interact. energy: 0.096
local terms energy: -65.797264
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -15.130
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: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -327.063640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.063640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.063640 (E_RNA)
where:
Base-Base interactions energy: -207.228
where: short stacking energy: -111.063
Base-Backbone interact. energy: 0.285
local terms energy: -120.121091
where:
bonds (distance) C4'-P energy: -20.136
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -26.010
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -30.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -295.021878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.021878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.021878 (E_RNA)
where:
Base-Base interactions energy: -187.666
where: short stacking energy: -108.088
Base-Backbone interact. energy: -0.018
local terms energy: -107.338326
where:
bonds (distance) C4'-P energy: -20.623
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -31.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -305.648125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.648125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.648125 (E_RNA)
where:
Base-Base interactions energy: -195.133
where: short stacking energy: -115.952
Base-Backbone interact. energy: -0.025
local terms energy: -110.490832
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -33.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -250.227707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.227707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.227707 (E_RNA)
where:
Base-Base interactions energy: -148.005
where: short stacking energy: -75.587
Base-Backbone interact. energy: -0.255
local terms energy: -101.967926
where:
bonds (distance) C4'-P energy: -25.057
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -19.508
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: 438
Temperature: 1.100000
Total energy: -249.028067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.028067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.028067 (E_RNA)
where:
Base-Base interactions energy: -151.364
where: short stacking energy: -85.095
Base-Backbone interact. energy: -0.218
local terms energy: -97.445664
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -24.431
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: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -208.275227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.275227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.275227 (E_RNA)
where:
Base-Base interactions energy: -115.165
where: short stacking energy: -62.036
Base-Backbone interact. energy: -0.426
local terms energy: -92.684907
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -220.965593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.965593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.965593 (E_RNA)
where:
Base-Base interactions energy: -128.993
where: short stacking energy: -72.678
Base-Backbone interact. energy: -0.343
local terms energy: -91.629136
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -160.353451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.353451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.353451 (E_RNA)
where:
Base-Base interactions energy: -91.948
where: short stacking energy: -48.188
Base-Backbone interact. energy: -0.441
local terms energy: -67.965063
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -107.855335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.855335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.855335 (E_RNA)
where:
Base-Base interactions energy: -26.743
where: short stacking energy: -24.223
Base-Backbone interact. energy: -0.218
local terms energy: -80.894742
where:
bonds (distance) C4'-P energy: -22.923
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -9.256
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: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -105.002269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.002269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.002269 (E_RNA)
where:
Base-Base interactions energy: -39.064
where: short stacking energy: -34.347
Base-Backbone interact. energy: -0.224
local terms energy: -65.713865
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -23.915
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -317.253281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.253281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.253281 (E_RNA)
where:
Base-Base interactions energy: -199.012
where: short stacking energy: -103.193
Base-Backbone interact. energy: -0.111
local terms energy: -118.130882
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -24.425
flat angles C4'-P-C4' energy: -23.324
flat angles P-C4'-P energy: -19.372
tors. eta vs tors. theta energy: -31.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -302.061973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.061973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.061973 (E_RNA)
where:
Base-Base interactions energy: -184.606
where: short stacking energy: -110.280
Base-Backbone interact. energy: -0.004
local terms energy: -117.451506
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -24.537
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -34.316
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: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -304.599401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.599401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.599401 (E_RNA)
where:
Base-Base interactions energy: -197.417
where: short stacking energy: -115.004
Base-Backbone interact. energy: -0.575
local terms energy: -106.607162
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -32.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -267.557569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.557569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.557569 (E_RNA)
where:
Base-Base interactions energy: -158.022
where: short stacking energy: -91.414
Base-Backbone interact. energy: 0.197
local terms energy: -109.732511
where:
bonds (distance) C4'-P energy: -23.846
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: -25.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -241.999297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.999297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.999297 (E_RNA)
where:
Base-Base interactions energy: -142.470
where: short stacking energy: -79.772
Base-Backbone interact. energy: -0.301
local terms energy: -99.228922
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -25.423
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -233.652053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.652053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.652053 (E_RNA)
where:
Base-Base interactions energy: -151.995
where: short stacking energy: -81.261
Base-Backbone interact. energy: -0.067
local terms energy: -81.589813
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -211.183725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.183725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.183725 (E_RNA)
where:
Base-Base interactions energy: -134.050
where: short stacking energy: -72.285
Base-Backbone interact. energy: -0.097
local terms energy: -77.036846
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -22.024
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -1.328
tors. eta vs tors. theta energy: -18.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -170.323419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.323419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.323419 (E_RNA)
where:
Base-Base interactions energy: -90.021
where: short stacking energy: -44.418
Base-Backbone interact. energy: -0.051
local terms energy: -80.250679
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -12.626
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: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -115.800348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.800348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.800348 (E_RNA)
where:
Base-Base interactions energy: -38.578
where: short stacking energy: -39.240
Base-Backbone interact. energy: -0.575
local terms energy: -76.647513
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -14.475
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: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -118.173341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.173341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.173341 (E_RNA)
where:
Base-Base interactions energy: -46.171
where: short stacking energy: -46.171
Base-Backbone interact. energy: -0.203
local terms energy: -71.800171
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -6.177
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)
out arg RESULTS//1/VL30-32-f153c541_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -309.011138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.011138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.011138 (E_RNA)
where:
Base-Base interactions energy: -196.081
where: short stacking energy: -101.288
Base-Backbone interact. energy: -0.012
local terms energy: -112.918277
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -30.647
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: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -275.390172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.390172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.390172 (E_RNA)
where:
Base-Base interactions energy: -172.271
where: short stacking energy: -97.220
Base-Backbone interact. energy: -0.151
local terms energy: -102.967298
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -25.068
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -20.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -294.858536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.858536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.858536 (E_RNA)
where:
Base-Base interactions energy: -183.250
where: short stacking energy: -100.717
Base-Backbone interact. energy: -0.044
local terms energy: -111.564313
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -30.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -266.896296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.896296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.896296 (E_RNA)
where:
Base-Base interactions energy: -159.417
where: short stacking energy: -84.213
Base-Backbone interact. energy: -0.031
local terms energy: -107.448461
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -25.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -251.044120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.044120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.044120 (E_RNA)
where:
Base-Base interactions energy: -158.483
where: short stacking energy: -86.552
Base-Backbone interact. energy: -0.048
local terms energy: -92.512905
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -20.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -248.635190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.635190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.635190 (E_RNA)
where:
Base-Base interactions energy: -142.430
where: short stacking energy: -78.507
Base-Backbone interact. energy: 0.450
local terms energy: -106.656043
where:
bonds (distance) C4'-P energy: -24.078
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -24.267
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -20.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -215.599967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.599967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.599967 (E_RNA)
where:
Base-Base interactions energy: -128.725
where: short stacking energy: -75.810
Base-Backbone interact. energy: -0.272
local terms energy: -86.602052
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -176.743546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.743546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.743546 (E_RNA)
where:
Base-Base interactions energy: -113.202
where: short stacking energy: -34.897
Base-Backbone interact. energy: -0.167
local terms energy: -63.375040
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -115.571728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.571728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.571728 (E_RNA)
where:
Base-Base interactions energy: -44.716
where: short stacking energy: -38.904
Base-Backbone interact. energy: -0.174
local terms energy: -70.681280
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -6.589
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: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -106.581127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.581127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.581127 (E_RNA)
where:
Base-Base interactions energy: -38.474
where: short stacking energy: -38.474
Base-Backbone interact. energy: -0.281
local terms energy: -67.826679
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -2.902
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -320.140470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.140470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.140470 (E_RNA)
where:
Base-Base interactions energy: -203.476
where: short stacking energy: -105.101
Base-Backbone interact. energy: 0.915
local terms energy: -117.579028
where:
bonds (distance) C4'-P energy: -21.503
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -27.266
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: -27.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -320.476727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.476727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.476727 (E_RNA)
where:
Base-Base interactions energy: -198.649
where: short stacking energy: -115.281
Base-Backbone interact. energy: -0.402
local terms energy: -121.425480
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -35.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -276.636904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.636904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.636904 (E_RNA)
where:
Base-Base interactions energy: -171.989
where: short stacking energy: -91.279
Base-Backbone interact. energy: 1.384
local terms energy: -106.032561
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -23.261
flat angles P-C4'-P energy: -21.388
tors. eta vs tors. theta energy: -19.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -241.236991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.236991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.236991 (E_RNA)
where:
Base-Base interactions energy: -144.535
where: short stacking energy: -76.111
Base-Backbone interact. energy: -0.425
local terms energy: -96.277493
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -21.155
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -18.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -271.263358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.263358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.263358 (E_RNA)
where:
Base-Base interactions energy: -174.265
where: short stacking energy: -90.983
Base-Backbone interact. energy: -0.044
local terms energy: -96.954405
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -20.944
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -24.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -212.011477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.011477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.011477 (E_RNA)
where:
Base-Base interactions energy: -128.755
where: short stacking energy: -70.810
Base-Backbone interact. energy: -0.027
local terms energy: -83.229637
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -20.545
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -235.574503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.574503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.574503 (E_RNA)
where:
Base-Base interactions energy: -142.900
where: short stacking energy: -61.062
Base-Backbone interact. energy: -0.279
local terms energy: -92.395421
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -174.395553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.395553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.395553 (E_RNA)
where:
Base-Base interactions energy: -97.193
where: short stacking energy: -60.083
Base-Backbone interact. energy: 0.288
local terms energy: -77.490342
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -14.882
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: 9, replica: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -116.613537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.613537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.613537 (E_RNA)
where:
Base-Base interactions energy: -47.618
where: short stacking energy: -38.033
Base-Backbone interact. energy: -0.082
local terms energy: -68.914208
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -115.466474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.466474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.466474 (E_RNA)
where:
Base-Base interactions energy: -38.753
where: short stacking energy: -34.945
Base-Backbone interact. energy: -0.311
local terms energy: -76.402529
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -26.393
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -324.628553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.628553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.628553 (E_RNA)
where:
Base-Base interactions energy: -207.435
where: short stacking energy: -123.319
Base-Backbone interact. energy: 0.494
local terms energy: -117.687396
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -34.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -318.066969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.066969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.066969 (E_RNA)
where:
Base-Base interactions energy: -209.799
where: short stacking energy: -107.072
Base-Backbone interact. energy: 1.718
local terms energy: -109.986477
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -23.270
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -28.454
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: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -261.405813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.405813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.405813 (E_RNA)
where:
Base-Base interactions energy: -159.341
where: short stacking energy: -91.406
Base-Backbone interact. energy: 1.235
local terms energy: -103.299809
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -23.117
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -23.555
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: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -249.488877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.488877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.488877 (E_RNA)
where:
Base-Base interactions energy: -149.733
where: short stacking energy: -72.194
Base-Backbone interact. energy: -0.272
local terms energy: -99.484154
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -25.668
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -19.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -246.450664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.450664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.450664 (E_RNA)
where:
Base-Base interactions energy: -147.000
where: short stacking energy: -78.553
Base-Backbone interact. energy: -0.089
local terms energy: -99.362237
where:
bonds (distance) C4'-P energy: -21.164
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -21.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -182.486045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.486045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.486045 (E_RNA)
where:
Base-Base interactions energy: -92.856
where: short stacking energy: -50.230
Base-Backbone interact. energy: -0.288
local terms energy: -89.341660
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -26.783
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -12.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -245.218130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.218130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.218130 (E_RNA)
where:
Base-Base interactions energy: -143.577
where: short stacking energy: -75.801
Base-Backbone interact. energy: -0.111
local terms energy: -101.530098
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -21.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -140.359097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.359097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.359097 (E_RNA)
where:
Base-Base interactions energy: -66.354
where: short stacking energy: -47.732
Base-Backbone interact. energy: -0.309
local terms energy: -73.696771
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -117.637120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.637120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.637120 (E_RNA)
where:
Base-Base interactions energy: -47.012
where: short stacking energy: -33.205
Base-Backbone interact. energy: -0.299
local terms energy: -70.326361
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -110.131396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.131396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.131396 (E_RNA)
where:
Base-Base interactions energy: -41.961
where: short stacking energy: -41.935
Base-Backbone interact. energy: -0.048
local terms energy: -68.121862
where:
bonds (distance) C4'-P energy: -23.984
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -4.846
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)